Bhawana Gupta wrote:
Hello Everyone,
Pls tell me after doing simulation, which command should i use ,so that
i can get all the pdb files of whole trajectory.
I know the command where i can get one pdb file at a time,
i.e.
trjconv -f *_vac_md_1ns.xtc -s *_vac_md_1ns.tpr -dt 20 -b 0 -e 300 -o
_vac_md_1ns_300.pdb
trjconv -f *_vac_md_1ns.xtc -s *_vac_md_1ns.tpr -o
*_vac_md_1ns_dump_300.pdb -dump 300
This command will give me pdb file for 300ps file where my total
simulation is for 1 ns.
but how to get whole pdb files for the simulation of 1ns where my dt=0.2
This is a very silly problem.
But Please help me out.
-sep
With Regards
Bhawana
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