* ========================================= * JOB: * ! { parameters passed } set i 0 ! Counter set name ! put the name of your psf and pdb set skip ! put the skip of your trajectory set count 1 set conf_n ! put the number of conformation in your trajectory ! get parameters !par and top files OPEN READ unit 2 card name @path/lib/top_all22_prot.inp READ rtf unit 2 card CLOSE unit 2 OPEN READ unit 2 card name @path/lib/par_all22_prot.inp READ param unit 2 card CLOSE unit 2 bomb -2 ! { psf } open unit 1 read formatted name @path/scr/@name.psf read psf card unit 1 close unit 1 ! { coordinates } OPEN UNIT 1 READ FORMatted NAME @path/scr/@name.crd READ COORdinate CARD UNIT 1 CLOSE UNIT 1 !change the name of your cor file open read unformatted unit 21 name @path/scr/dyna.cor trajectory iread 21 nread @count skip @skip LABEL loop1 incr i by 1 traj read ! here you can put the number of the 2 atoms to have the distance between both QUICK 2757 2788 IF @i LT @{conf_n} GOTO loop1 close unit 12 stop !pfew