* Convert cor trajectory to pdb format * Author: Hock-Chuan YEO *
set FILE 125l set N 1
set START 100500 !starting frame no. set END 333000 !ending frame no. set INCR 500 !change in frame no. from one frame to the next calc LOOP = @END-@START
read rtf card name $TOPPAR/top_all27_prot_lipid.rtf read para card name $TOPPAR/par_all27_prot_lipid.prm
! Get starting psf and coordinates open read formatted unit 3 name @FILE-solv.psf read psf card unit 3 open unit 4 card read name @FILE_0.crd read coor card unit 4
open unit 67 write form name @FILE-@N-cor.pdb !output pdb trajectory open unit 31 read unform name @FILE-@N.cor !input cor trajectory traj iread 31 nrea 1 begin @START stop @END skip @INCR
set tr @INCR
LABEL ILP traj read write coor pdb unit 67 incr tr by @INCR if tr .le. @LOOP goto ILP
stop
CHARMM 30b1 driven by
1/ Xeon (32 bits)
2/ Redhat 7.3 (32 bits) with a Quadrics-modified 2.4-18-5 kernel
3/ Chuan, with 95% of the mentorship coming from great scientists frequenting this forum.
4/ Gracious support from the forum.
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