* Timeseries template input * set inp wt.10ns set dcd wt.10ns !!!!!!!!!!!!!!!!!!!!!!!!!!! ! Topology, parameters and PSF !!!!!!!!!!!!!!!!!!!!!!!!!!! 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 ! Read in psf and coordinates open read formatted unit 20 name ../scr/@inp.psf read psf card unit 20 open read formatted unit 21 name ../scr/@inp.crd read coor card unit 21 coor copy comp OPEN UNIT 14 READ unformatted NAME ../scr/@dcd.cor open unit 98 write form name tyr.ts correl maxseries 2 maxtimesteps 10000000 maxatom 15 enter ts1 bond l 138 ca l 31 ca enter ts2 bond l 139 ca l 31 ca trajectory firstunit 14 nunits 1 skip 1 begin 0 stop 10000000 edit ts1 veccode 2! veccode as maxseries indicates the number of timeseries here two... write ts1 unit 98 card *# JOBNAME: h-bonds * stop