[gmx-users] Program trjconv question

PeiQuan Chen gromacs at 163.com
Thu Oct 16 11:00:01 CEST 2003

Dear gmx-users,

In the manual of Gromacs, It show that it is possible to select part of your trajectory and write it out 
to a new trajectory file, e.g. for leaving out the water from a trajectory of a protein in water.
I have done a MD of a protein in water, and I want to make a new trajectory files, which It only contains
the trajectory of the protein. So I think the trjconv program can help me, but I failed.
The command line I used to extract the trajectory of protein is following:

trjconv -f traj.trr -o newtraj.trr -b 0 -e 1000

But this command only make a trajectory file that contains both protein and waters trajectory.

Could anybody tell me help to resolve this problem?

Thank you in advance!  

Sincerely yours
PeiQuan Chen
PeiQuan Chen 	Department of Chemistry, Nankai University
WeiJin Road 94, TianJin, 300071, P.R.China
phone:	(86)2223506728		Mobile Phone: (+86)13920675030
gromacs at 163.com	

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