* merge: merge trajectories * ! { parameters passed } set 0 JOB: merge trajectorie set struct wt.10ns set inp wt.10ns set stop 100000 set skip 1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! set begin 0 bomb -2 open unit 1 card read name ../lib/top_all27_prot_na.rtf read RTF card unit 1 close unit 1 open unit 1 card read name ../lib/par_all27_prot_na.prm read PARA card unit 1 close unit 1 stream ../lib/aco.rtf open unit 1 read formatted name ../scr/@inp.psf read psf card unit 1 close unit 1 open read formatted unit 17 name ../scr/@inp.crd read coor card unit 17 coor copy comp open read unit 14 unfor NAME ../scr/merge_5_trajectories.dcd open write unformatted unit 99 name ../scr/merge_5_trajectories.orient.dcd merge skip @skip firstu 14 begin @begin stop @stop nunit 1 outp 99 - sele all end - orient sele type ca end open unit 2 write form name ../scr/@{struct}.for_quasi.pdb write coor pdb unit 2 close unit 2 open unit 2 write form name ../scr/@{struct}.for_quasi.psf write psf card unit 2 close unit 2 open unit 2 write form name ../scr/@{struct}.for_quasi.crd write coor card unit 2 close unit 2