Index of /10.11582_2022.00013/rhodanese_pmemd

	Name	Last modified	Size	Description
	Parent Directory		-
	1rhs.prmtop	2009-03-25 11:52	1.7M
	rhodanese_min.out	2009-03-25 11:52	14K
	1rhs.inpcrd	2009-03-25 11:52	164K
	equil1.in	2009-03-25 11:52	294
	equil2.in	2009-03-25 11:52	294
	heat1.in	2009-03-25 11:52	295
	heat2.in	2009-03-25 11:52	297
	heat3.in	2009-03-25 11:52	297
	heat4.in	2009-03-25 11:52	297
	heat5.in	2009-03-25 11:52	297
	min.in	2009-03-25 11:52	113
	prod.in	2009-03-25 11:52	230
	rhodanese_equil1.out	2009-03-25 11:52	61K
	rhodanese_heat1.mdcrd	2009-03-25 11:52	538K
	rhodanese_heat1.out	2009-03-25 11:52	61K
	rhodanese_heat2.out	2009-03-25 11:52	61K
	rhodanese_heat3.out	2009-03-25 11:52	61K
	rhodanese_heat4.out	2009-03-25 11:52	61K
	logfile	2009-03-25 11:52	6.1K
	mdinfo	2009-03-25 11:52	401
	rhodanese_equil1.mdcrd	2009-03-25 11:52	538K
	rhodanese_equil2.out	2009-03-25 11:52	61K
	rhodanese_heat1.rst	2009-03-25 11:52	327K
	rhodanese_heat2.mdcrd	2009-03-25 11:52	538K
	rhodanese_heat2.rst	2009-03-25 11:52	327K
	rhodanese_heat3.mdcrd	2009-03-25 11:52	538K
	rhodanese_heat3.rst	2009-03-25 11:52	327K
	rhodanese_heat5.out	2009-03-25 11:52	61K
	rhodanese_min.rst	2009-03-25 11:52	164K
	rhodanese_prod.out	2009-03-25 11:52	4.7M
	rhodanese_equil1.rst	2009-03-25 11:52	327K
	rhodanese_equil2.mdcrd	2009-03-25 11:52	538K
	rhodanese_equil2.rst	2009-03-25 11:52	327K
	rhodanese_heat4.mdcrd	2009-03-25 11:52	538K
	rhodanese_heat4.rst	2009-03-25 11:52	327K
	rhodanese_heat5.mdcrd	2009-03-25 11:52	538K
	rhodanese_heat5.rst	2009-03-25 11:52	327K
	prod_300.in	2009-03-25 11:52	230
	rhodanese_prod.mdcrd	2009-03-25 11:52	53M
	rhodanese_prod.rst	2009-03-25 11:52	327K
	rhodanese_prod_300.out	2009-03-25 11:52	4.7M
	rhodanese_prod_300.mdcrd	2009-03-25 11:52	53M
	rhodanese_prod_300.rst	2009-03-25 11:52	327K
	rhod_denatured.pdb	2009-03-25 12:08	91M
	frame50.pdb.50	2009-04-01 10:56	300K
	frame200.pdb	2009-04-01 10:57	300K
	translate.ptraj	2009-04-22 11:24	0
	start.1	2009-04-29 12:51	300K
	get_frames.ptraj	2009-04-29 13:06	96
	snapshots.1	2009-04-29 13:06	300K
	snapshots.2	2009-04-29 13:06	300K
	snapshots.52	2009-04-29 13:06	300K
	snapshots.102	2009-04-29 13:06	300K
	snapshots.152	2009-04-29 13:06	300K
	snapshots.202	2009-04-29 13:06	300K
	1.png	2009-04-29 13:10	153K
	2.png	2009-04-29 13:10	159K
	3.png	2009-04-29 13:10	149K
	4.png	2009-04-29 13:10	143K
	5.png	2009-04-29 13:10	147K
	6.png	2009-04-29 13:10	141K
	all_1.png	2009-04-29 13:12	295K
	all_2.png	2009-04-29 13:12	418K
	all_3.png	2009-04-29 13:13	533K
	all_4.png	2009-04-29 13:13	641K
	all_5.png	2009-04-29 13:14	743K
	rmsd.ptraj	2009-04-29 13:37	312
	rmsd.out	2009-04-29 13:37	40K
	rmsd.ps	2009-04-29 13:38	29K
	rmsd.pdf	2009-04-29 14:00	34K
	rmsd.out.md5	2022-02-15 20:54	32
	mdinfo.md5	2022-02-15 20:54	32
	rhodanese_equil2.mdcrd.md5	2022-02-15 20:54	32
	1rhs.prmtop.md5	2022-02-15 20:54	32
	snapshots.1.md5	2022-02-15 20:54	32
	rhodanese_prod.mdcrd.md5	2022-02-15 20:54	32
	rhod_denatured.pdb.md5	2022-02-15 20:54	32
	all_3.png.md5	2022-02-15 20:54	32
	rhodanese_equil1.mdcrd.md5	2022-02-15 20:54	32
	rhodanese_min.rst.md5	2022-02-15 20:54	32
	heat1.in.md5	2022-02-15 20:54	32
	rhodanese_heat4.mdcrd.md5	2022-02-15 20:54	32
	min.in.md5	2022-02-15 20:54	32
	all_4.png.md5	2022-02-15 20:54	32
	rhodanese_prod_300.rst.md5	2022-02-15 20:54	32
	rhodanese_equil2.out.md5	2022-02-15 20:54	32
	rmsd.ptraj.md5	2022-02-15 20:54	32
	rhodanese_equil1.out.md5	2022-02-15 20:54	32
	rhodanese_prod.rst.md5	2022-02-15 20:54	32
	rmsd.ps.md5	2022-02-15 20:54	32
	3.png.md5	2022-02-15 20:54	32
	rhodanese_heat3.rst.md5	2022-02-15 20:54	32
	rhodanese_prod_300.mdcrd.md5	2022-02-15 20:54	32
	frame200.pdb.md5	2022-02-15 20:54	32
	logfile.md5	2022-02-15 20:54	32
	6.png.md5	2022-02-15 20:54	32
	all_5.png.md5	2022-02-15 20:54	32
	heat4.in.md5	2022-02-15 20:54	32
	rhodanese_heat5.out.md5	2022-02-15 20:54	32
	rhodanese_heat2.out.md5	2022-02-15 20:54	32
	translate.ptraj.md5	2022-02-15 20:54	32
	1.png.md5	2022-02-15 20:54	32
	rhodanese_heat3.mdcrd.md5	2022-02-15 20:54	32
	rhodanese_equil2.rst.md5	2022-02-15 20:54	32
	rhodanese_heat3.out.md5	2022-02-15 20:54	32
	rhodanese_heat4.rst.md5	2022-02-15 20:54	32
	snapshots.202.md5	2022-02-15 20:54	32
	rhodanese_equil1.rst.md5	2022-02-15 20:54	32
	snapshots.102.md5	2022-02-15 20:54	32
	heat5.in.md5	2022-02-15 20:54	32
	rhodanese_heat4.out.md5	2022-02-15 20:54	32
	rhodanese_heat5.rst.md5	2022-02-15 20:54	32
	4.png.md5	2022-02-15 20:54	32
	rhodanese_prod_300.out.md5	2022-02-15 20:54	32
	snapshots.152.md5	2022-02-15 20:54	32
	start.1.md5	2022-02-15 20:54	32
	frame50.pdb.50.md5	2022-02-15 20:54	32
	heat3.in.md5	2022-02-15 20:54	32
	prod_300.in.md5	2022-02-15 20:54	32
	snapshots.2.md5	2022-02-15 20:54	32
	rhodanese_heat1.out.md5	2022-02-15 20:54	32
	rhodanese_heat1.rst.md5	2022-02-15 20:54	32
	rhodanese_heat2.mdcrd.md5	2022-02-15 20:54	32
	rhodanese_prod.out.md5	2022-02-15 20:54	32
	rmsd.pdf.md5	2022-02-15 20:54	32
	equil2.in.md5	2022-02-15 20:54	32
	rhodanese_min.out.md5	2022-02-15 20:54	32
	all_1.png.md5	2022-02-15 20:54	32
	prod.in.md5	2022-02-15 20:54	32
	snapshots.52.md5	2022-02-15 20:54	32
	equil1.in.md5	2022-02-15 20:54	32
	2.png.md5	2022-02-15 20:54	32
	get_frames.ptraj.md5	2022-02-15 20:54	32
	all_2.png.md5	2022-02-15 20:54	32
	heat2.in.md5	2022-02-15 20:54	32
	rhodanese_heat1.mdcrd.md5	2022-02-15 20:54	32
	rhodanese_heat5.mdcrd.md5	2022-02-15 20:54	32
	5.png.md5	2022-02-15 20:54	32
	rhodanese_heat2.rst.md5	2022-02-15 20:54	32
	1rhs.inpcrd.md5	2022-02-15 20:54	32
	groel_rhodanense_docking/	2022-02-15 20:54	-
	kari/	2022-02-15 20:54	-