# This file was created Fri Dec 4 05:14:38 2020 # Created by: # :-) GROMACS - gmx mdrun, 2018.4 (-: # # Executable: /cluster/software/GROMACS/2018.4-fosscuda-2018b-PLUMED-2.5.0/bin/gmx_mpi # Data prefix: /cluster/software/GROMACS/2018.4-fosscuda-2018b-PLUMED-2.5.0 # Working dir: /cluster/work/users/victoal/PMF/P30_singleMolecule/umbrella # Command line: # gmx_mpi mdrun -maxh 48 -deffnm umbrella10ns8 # gmx mdrun is part of G R O M A C S: # # Gyas ROwers Mature At Cryogenic Speed # @ title "Pull COM" @ xaxis label "Time (ps)" @ yaxis label "Position (nm)" @TYPE xy 0.0000 0.851773 0.1000 0.850084 0.2000 0.860998 0.3000 0.885572 0.4000 0.908441 0.5000 0.921995 0.6000 0.927182 0.7000 0.932 0.8000 0.933698 0.9000 0.935564 1.0000 0.931987 1.1000 0.929387 1.2000 0.922517 1.3000 0.908089 1.4000 0.910907 1.5000 0.914293 1.6000 0.903248 1.7000 0.891996 1.8000 0.896504 1.9000 0.898468 2.0000 0.884124 2.1000 0.872257 2.2000 0.873248 2.3000 0.867573 2.4000 0.867035 2.5000 0.869678 2.6000 0.872782 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0.859741 1971.6000 0.853914 1971.7000 0.86064 1971.8000 0.874977 1971.9000 0.880776 1972.0000 0.883562 1972.1000 0.889612 1972.2000 0.894194 1972.3000 0.899999 1972.4000 0.905835 1972.5000 0.908586 1972.6000 0.91092 1972.7000 0.909183 1972.8000 0.905873 1972.9000 0.908957 1973.0000 0.914425 1973.1000 0.908053 1973.2000 0.893223 1973.3000 0.882843 1973.4000 0.869285 1973.5000 0.865415 1973.6000 0.867334 1973.7000 0.855057 1973.8000 0.857975 1973.9000 0.867607 1974.0000 0.868033 1974.1000 0.866755 1974.2000 0.863005 1974.3000 0.866609 1974.4000 0.874373 1974.5000 0.888193 1974.6000 0.904319 1974.7000 0.915419 1974.8000 0.930732 1974.9000 0.934785 1975.0000 0.922669 1975.1000 0.906963 1975.2000 0.899977 1975.3000 0.896445 1975.4000 0.890701 1975.5000 0.884939 1975.6000 0.889121 1975.7000 0.903343 1975.8000 0.919754 1975.9000 0.933889 1976.0000 0.939914 1976.1000 0.939014 1976.2000 0.926628 1976.3000 0.918759 1976.4000 0.923157 1976.5000 0.91365 1976.6000 0.906983 1976.7000 0.909406 1976.8000 0.90109 1976.9000 0.886876 1977.0000 0.882229 1977.1000 0.877184 1977.2000 0.86966 1977.3000 0.863929 1977.4000 0.854327 1977.5000 0.846764 1977.6000 0.841565 1977.7000 0.840365 1977.8000 0.844856 1977.9000 0.849402 1978.0000 0.860396 1978.1000 0.862317 1978.2000 0.861557 1978.3000 0.874161 1978.4000 0.892395 1978.5000 0.897538 1978.6000 0.895194 1978.7000 0.889571 1978.8000 0.891566 1978.9000 0.901292 1979.0000 0.905932 1979.1000 0.902999 1979.2000 0.899256 1979.3000 0.901415 1979.4000 0.909671 1979.5000 0.918829 1979.6000 0.919713 1979.7000 0.908499 1979.8000 0.897042 1979.9000 0.891198 1980.0000 0.883965 1980.1000 0.875902 1980.2000 0.87343 1980.3000 0.88292 1980.4000 0.893958 1980.5000 0.896731 1980.6000 0.901928 1980.7000 0.908158 1980.8000 0.913165 1980.9000 0.907598 1981.0000 0.895254 1981.1000 0.881614 1981.2000 0.865964 1981.3000 0.86215 1981.4000 0.865469 1981.5000 0.868736 1981.6000 0.866728 1981.7000 0.869425 1981.8000 0.884169 1981.9000 0.897089 1982.0000 0.895472 1982.1000 0.891223 1982.2000 0.900646 1982.3000 0.903239 1982.4000 0.899006 1982.5000 0.899847 1982.6000 0.89574 1982.7000 0.885787 1982.8000 0.869923 1982.9000 0.859181 1983.0000 0.867735 1983.1000 0.876377 1983.2000 0.900588 1983.3000 0.923439 1983.4000 0.927101 1983.5000 0.922615 1983.6000 0.918733 1983.7000 0.917825 1983.8000 0.9016 1983.9000 0.886559 1984.0000 0.892811 1984.1000 0.89904 1984.2000 0.893848 1984.3000 0.881974 1984.4000 0.879345 1984.5000 0.883257 1984.6000 0.891406 1984.7000 0.89891 1984.8000 0.905835 1984.9000 0.910199 1985.0000 0.913967 1985.1000 0.909001 1985.2000 0.906554 1985.3000 0.903376 1985.4000 0.908694 1985.5000 0.905405 1985.6000 0.89607 1985.7000 0.891795 1985.8000 0.883406 1985.9000 0.893333 1986.0000 0.90719 1986.1000 0.893469 1986.2000 0.876792 1986.3000 0.884393 1986.4000 0.889955 1986.5000 0.885802 1986.6000 0.888819 1986.7000 0.892691 1986.8000 0.894064 1986.9000 0.898799 1987.0000 0.910883 1987.1000 0.924467 1987.2000 0.940732 1987.3000 0.936923 1987.4000 0.924066 1987.5000 0.914786 1987.6000 0.909923 1987.7000 0.902635 1987.8000 0.895662 1987.9000 0.891656 1988.0000 0.889523 1988.1000 0.895097 1988.2000 0.900062 1988.3000 0.887916 1988.4000 0.870462 1988.5000 0.866738 1988.6000 0.872781 1988.7000 0.888834 1988.8000 0.890958 1988.9000 0.880551 1989.0000 0.870403 1989.1000 0.875228 1989.2000 0.875156 1989.3000 0.881367 1989.4000 0.889035 1989.5000 0.893196 1989.6000 0.907481 1989.7000 0.917983 1989.8000 0.933167 1989.9000 0.947929 1990.0000 0.962372 1990.1000 0.966584 1990.2000 0.958619 1990.3000 0.940725 1990.4000 0.919522 1990.5000 0.916914 1990.6000 0.914279 1990.7000 0.910157 1990.8000 0.907307 1990.9000 0.905752 1991.0000 0.901967 1991.1000 0.902487 1991.2000 0.912044 1991.3000 0.919516 1991.4000 0.922222 1991.5000 0.913149 1991.6000 0.901246 1991.7000 0.89051 1991.8000 0.888969 1991.9000 0.890481 1992.0000 0.892966 1992.1000 0.902786 1992.2000 0.91164 1992.3000 0.920913 1992.4000 0.914957 1992.5000 0.909204 1992.6000 0.904194 1992.7000 0.88819 1992.8000 0.86391 1992.9000 0.852607 1993.0000 0.853898 1993.1000 0.869934 1993.2000 0.881147 1993.3000 0.890722 1993.4000 0.916537 1993.5000 0.931915 1993.6000 0.932549 1993.7000 0.934935 1993.8000 0.93668 1993.9000 0.932902 1994.0000 0.919715 1994.1000 0.902948 1994.2000 0.892618 1994.3000 0.890602 1994.4000 0.892075 1994.5000 0.893308 1994.6000 0.898767 1994.7000 0.908376 1994.8000 0.916021 1994.9000 0.924456 1995.0000 0.922064 1995.1000 0.90879 1995.2000 0.893449 1995.3000 0.885587 1995.4000 0.887563 1995.5000 0.894454 1995.6000 0.904593 1995.7000 0.907716 1995.8000 0.903962 1995.9000 0.899092 1996.0000 0.900938 1996.1000 0.917177 1996.2000 0.929868 1996.3000 0.93731 1996.4000 0.940356 1996.5000 0.944085 1996.6000 0.942923 1996.7000 0.930353 1996.8000 0.914283 1996.9000 0.904435 1997.0000 0.904569 1997.1000 0.896398 1997.2000 0.889357 1997.3000 0.888674 1997.4000 0.8799 1997.5000 0.873334 1997.6000 0.881675 1997.7000 0.890996 1997.8000 0.901858 1997.9000 0.915216 1998.0000 0.924237 1998.1000 0.93131 1998.2000 0.934598 1998.3000 0.929021 1998.4000 0.921139 1998.5000 0.913649 1998.6000 0.909961 1998.7000 0.91712 1998.8000 0.917473 1998.9000 0.910925 1999.0000 0.912543 1999.1000 0.922742 1999.2000 0.936742 1999.3000 0.951916 1999.4000 0.961416 1999.5000 0.962347 1999.6000 0.951767 1999.7000 0.937887 1999.8000 0.931895 1999.9000 0.925716 2000.0000 0.922911 2000.1000 0.923435 2000.2000 0.924849 2000.3000 0.917596 2000.4000 0.912295 2000.5000 0.903946 2000.6000 0.901166 2000.7000 0.901242 2000.8000 0.901126 2000.9000 0.895362 2001.0000 0.886482 2001.1000 0.870418 2001.2000 0.861625 2001.3000 0.860792 2001.4000 0.868264 2001.5000 0.887141 2001.6000 0.908839 2001.7000 0.919026 2001.8000 0.917007 2001.9000 0.91071 2002.0000 0.901699 2002.1000 0.897138 2002.2000 0.894634 2002.3000 0.895867 2002.4000 0.895239 2002.5000 0.891959 2002.6000 0.890579 2002.7000 0.893274 2002.8000 0.893628 2002.9000 0.898871 2003.0000 0.908548 2003.1000 0.903048 2003.2000 0.912075 2003.3000 0.922307 2003.4000 0.931878 2003.5000 0.935267 2003.6000 0.933435 2003.7000 0.922817 2003.8000 0.921593 2003.9000 0.929505 2004.0000 0.92513 2004.1000 0.926909 2004.2000 0.922862 2004.3000 0.915775 2004.4000 0.918254 2004.5000 0.925701 2004.6000 0.928641 2004.7000 0.918009 2004.8000 0.916874 2004.9000 0.917788 2005.0000 0.913925 2005.1000 0.904797 2005.2000 0.915918 2005.3000 0.924608 2005.4000 0.919096 2005.5000 0.915449 2005.6000 0.913025 2005.7000 0.91115 2005.8000 0.911458 2005.9000 0.92961 2006.0000 0.939968 2006.1000 0.932225 2006.2000 0.91262 2006.3000 0.894755 2006.4000 0.884689 2006.5000 0.881017 2006.6000 0.882752 2006.7000 0.890458 2006.8000 0.893408 2006.9000 0.891862 2007.0000 0.896302 2007.1000 0.898511 2007.2000 0.897801 2007.3000 0.893368 2007.4000 0.890449 2007.5000 0.897612 2007.6000 0.90429 2007.7000 0.897127 2007.8000 0.887864 2007.9000 0.888214 2008.0000 0.901626 2008.1000 0.905025 2008.2000 0.908244 2008.3000 0.910828 2008.4000 0.905 2008.5000 0.899551 2008.6000 0.901511 2008.7000 0.905051 2008.8000 0.899493 2008.9000 0.892655 2009.0000 0.886524 2009.1000 0.885384 2009.2000 0.885921 2009.3000 0.891023 2009.4000 0.901134 2009.5000 0.899209 2009.6000 0.891318 2009.7000 0.890252 2009.8000 0.893367 2009.9000 0.895859 2010.0000 0.894022 2010.1000 0.891166 2010.2000 0.885434 2010.3000 0.886821 2010.4000 0.89022 2010.5000 0.902955 2010.6000 0.913619 2010.7000 0.921339 2010.8000 0.927654 2010.9000 0.920507 2011.0000 0.908254 2011.1000 0.899195 2011.2000 0.891146 2011.3000 0.889334 2011.4000 0.896364 2011.5000 0.904687 2011.6000 0.899771 2011.7000 0.892232 2011.8000 0.886373 2011.9000 0.888965 2012.0000 0.895638 2012.1000 0.899826 2012.2000 0.911769 2012.3000 0.912985 2012.4000 0.910648 2012.5000 0.903469 2012.6000 0.898778 2012.7000 0.89612 2012.8000 0.898044 2012.9000 0.889653 2013.0000 0.88598 2013.1000 0.88795 2013.2000 0.885541 2013.3000 0.877153 2013.4000 0.878652 2013.5000 0.883552 2013.6000 0.88464 2013.7000 0.880715 2013.8000 0.880517 2013.9000 0.88289 2014.0000 0.867447 2014.1000 0.85658 2014.2000 0.860359 2014.3000 0.865007 2014.4000 0.87131 2014.5000 0.879067 2014.6000 0.895649 2014.7000 0.905489 2014.8000 0.893953 2014.9000 0.884378 2015.0000 0.873138 2015.1000 0.866602 2015.2000 0.866694 2015.3000 0.870508 2015.4000 0.876352 2015.5000 0.878815 2015.6000 0.876397 2015.7000 0.87243 2015.8000 0.876492 2015.9000 0.870556 2016.0000 0.860444 2016.1000 0.8542 2016.2000 0.841924 2016.3000 0.837461 2016.4000 0.846776 2016.5000 0.866239 2016.6000 0.871096 2016.7000 0.874862 2016.8000 0.883675 2016.9000 0.889229 2017.0000 0.890672 2017.1000 0.890287 2017.2000 0.903947 2017.3000 0.916545 2017.4000 0.921319 2017.5000 0.907664 2017.6000 0.890907 2017.7000 0.882607 2017.8000 0.880707 2017.9000 0.87581 2018.0000 0.867455 2018.1000 0.884382 2018.2000 0.904487 2018.3000 0.903454 2018.4000 0.895678 2018.5000 0.89928 2018.6000 0.897816 2018.7000 0.892834 2018.8000 0.89094 2018.9000 0.884658 2019.0000 0.881398 2019.1000 0.883079 2019.2000 0.886319 2019.3000 0.887369 2019.4000 0.880383 2019.5000 0.880752 2019.6000 0.874676 2019.7000 0.870469 2019.8000 0.875305 2019.9000 0.884699 2020.0000 0.890232 2020.1000 0.89878 2020.2000 0.911934 2020.3000 0.9175 2020.4000 0.921001 2020.5000 0.921061 2020.6000 0.918202 2020.7000 0.906095 2020.8000 0.896925 2020.9000 0.890004 2021.0000 0.893915 2021.1000 0.906831 2021.2000 0.921924 2021.3000 0.938493 2021.4000 0.941081 2021.5000 0.927919 2021.6000 0.920297 2021.7000 0.918931 2021.8000 0.920199 2021.9000 0.913886 2022.0000 0.900244 2022.1000 0.891819 2022.2000 0.897179 2022.3000 0.894558 2022.4000 0.880452 2022.5000 0.874189 2022.6000 0.88046 2022.7000 0.890479 2022.8000 0.902329 2022.9000 0.905801 2023.0000 0.907801 2023.1000 0.906804 2023.2000 0.899777 2023.3000 0.88923 2023.4000 0.886359 2023.5000 0.902102 2023.6000 0.919752 2023.7000 0.933135 2023.8000 0.93652 2023.9000 0.919205 2024.0000 0.899099 2024.1000 0.886557 2024.2000 0.890172 2024.3000 0.903789 2024.4000 0.913923 2024.5000 0.921714 2024.6000 0.936181 2024.7000 0.940067 2024.8000 0.933582 2024.9000 0.918176 2025.0000 0.907748 2025.1000 0.907558 2025.2000 0.909064 2025.3000 0.912228 2025.4000 0.921737 2025.5000 0.924171 2025.6000 0.92265 2025.7000 0.927415 2025.8000 0.93466 2025.9000 0.932028 2026.0000 0.929666 2026.1000 0.913598 2026.2000 0.911247 2026.3000 0.917511 2026.4000 0.917502 2026.5000 0.90709 2026.6000 0.895357 2026.7000 0.887939 2026.8000 0.892543 2026.9000 0.896996 2027.0000 0.89504 2027.1000 0.894995 2027.2000 0.903464 2027.3000 0.900399 2027.4000 0.884709 2027.5000 0.882429 2027.6000 0.877108 2027.7000 0.883319 2027.8000 0.896182 2027.9000 0.907369 2028.0000 0.912551 2028.1000 0.903262 2028.2000 0.900897 2028.3000 0.905238 2028.4000 0.901863 2028.5000 0.904836 2028.6000 0.915599 2028.7000 0.919711 2028.8000 0.927653 2028.9000 0.930376 2029.0000 0.928052 2029.1000 0.913825 2029.2000 0.900533 2029.3000 0.908901 2029.4000 0.925673 2029.5000 0.930779 2029.6000 0.932537 2029.7000 0.938826 2029.8000 0.935495 2029.9000 0.936591 2030.0000 0.93595 2030.1000 0.931732 2030.2000 0.927751 2030.3000 0.92634 2030.4000 0.924622 2030.5000 0.916314 2030.6000 0.905274 2030.7000 0.907435 2030.8000 0.902237 2030.9000 0.911447 2031.0000 0.926509 2031.1000 0.919785 2031.2000 0.907305 2031.3000 0.897006 2031.4000 0.891113 2031.5000 0.893998 2031.6000 0.892146 2031.7000 0.894971 2031.8000 0.902652 2031.9000 0.920016 2032.0000 0.928254 2032.1000 0.927528 2032.2000 0.924486 2032.3000 0.91634 2032.4000 0.910032 2032.5000 0.90866 2032.6000 0.916118 2032.7000 0.916723 2032.8000 0.922797 2032.9000 0.918514 2033.0000 0.913884 2033.1000 0.913526 2033.2000 0.908225 2033.3000 0.900988 2033.4000 0.905278 2033.5000 0.909262 2033.6000 0.910829 2033.7000 0.905461 2033.8000 0.91088 2033.9000 0.912164 2034.0000 0.909752 2034.1000 0.917255 2034.2000 0.920489 2034.3000 0.922318 2034.4000 0.922155 2034.5000 0.90686 2034.6000 0.893392 2034.7000 0.896134 2034.8000 0.901791 2034.9000 0.89866 2035.0000 0.888738 2035.1000 0.884847 2035.2000 0.887298 2035.3000 0.883983 2035.4000 0.877521 2035.5000 0.872071 2035.6000 0.865282 2035.7000 0.861518 2035.8000 0.86041 2035.9000 0.858863 2036.0000 0.865273 2036.1000 0.879647 2036.2000 0.884524 2036.3000 0.892183 2036.4000 0.898087 2036.5000 0.902388 2036.6000 0.904756 2036.7000 0.919489 2036.8000 0.930883 2036.9000 0.934395 2037.0000 0.931528 2037.1000 0.928162 2037.2000 0.919415 2037.3000 0.902236 2037.4000 0.892649 2037.5000 0.889852 2037.6000 0.887626 2037.7000 0.891557 2037.8000 0.904047 2037.9000 0.90949 2038.0000 0.906494 2038.1000 0.905159 2038.2000 0.910601 2038.3000 0.908374 2038.4000 0.896483 2038.5000 0.887069 2038.6000 0.889301 2038.7000 0.891754 2038.8000 0.888988 2038.9000 0.883409 2039.0000 0.878962 2039.1000 0.877033 2039.2000 0.878131 2039.3000 0.880181 2039.4000 0.864018 2039.5000 0.851067 2039.6000 0.852513 2039.7000 0.866137 2039.8000 0.885474 2039.9000 0.899744 2040.0000 0.901908 2040.1000 0.903577 2040.2000 0.901593 2040.3000 0.907235 2040.4000 0.899774 2040.5000 0.891527 2040.6000 0.893378 2040.7000 0.893091 2040.8000 0.884079 2040.9000 0.877544 2041.0000 0.869699 2041.1000 0.859505 2041.2000 0.852219 2041.3000 0.859407 2041.4000 0.871334 2041.5000 0.873772 2041.6000 0.882928 2041.7000 0.894538 2041.8000 0.897198 2041.9000 0.902039 2042.0000 0.90852 2042.1000 0.901618 2042.2000 0.890958 2042.3000 0.888526 2042.4000 0.888533 2042.5000 0.892223 2042.6000 0.89293 2042.7000 0.897326 2042.8000 0.900565 2042.9000 0.904275 2043.0000 0.907681 2043.1000 0.906081 2043.2000 0.903823 2043.3000 0.907507 2043.4000 0.911779 2043.5000 0.917137 2043.6000 0.921488 2043.7000 0.918089 2043.8000 0.913358 2043.9000 0.910984 2044.0000 0.899131 2044.1000 0.891415 2044.2000 0.890441 2044.3000 0.902264 2044.4000 0.922474 2044.5000 0.931209 2044.6000 0.927222 2044.7000 0.91715 2044.8000 0.911118 2044.9000 0.909239 2045.0000 0.910907 2045.1000 0.914112 2045.2000 0.911256 2045.3000 0.90382 2045.4000 0.896803 2045.5000 0.899453 2045.6000 0.906799 2045.7000 0.902679 2045.8000 0.887526 2045.9000 0.882022 2046.0000 0.882578 2046.1000 0.880488 2046.2000 0.875667 2046.3000 0.876553 2046.4000 0.874484 2046.5000 0.876004 2046.6000 0.878683 2046.7000 0.873061 2046.8000 0.86414 2046.9000 0.849554 2047.0000 0.838618 2047.1000 0.838351 2047.2000 0.836065 2047.3000 0.829503 2047.4000 0.833121 2047.5000 0.838857 2047.6000 0.844739 2047.7000 0.850956 2047.8000 0.862075 2047.9000 0.87703 2048.0000 0.88285 2048.1000 0.878033 2048.2000 0.88018 2048.3000 0.882453 2048.4000 0.879419 2048.5000 0.880891 2048.6000 0.885731 2048.7000 0.896809 2048.8000 0.892914 2048.9000 0.888077 2049.0000 0.88934 2049.1000 0.879177 2049.2000 0.870454 2049.3000 0.868422 2049.4000 0.869319 2049.5000 0.866789 2049.6000 0.863781 2049.7000 0.876435 2049.8000 0.888087 2049.9000 0.890135 2050.0000 0.887751 2050.1000 0.883747 2050.2000 0.880723 2050.3000 0.8749 2050.4000 0.870368 2050.5000 0.870005 2050.6000 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