[gmx-users] selecting groups for full trajectory

Justin A. Lemkul jalemkul at vt.edu
Wed May 11 19:03:30 CEST 2011

Ravi Bhadauria wrote:
> Hello,
> I wish to select the groups for full precision trajectory (.trr files). 
> Is there a way to choose which group should be written to trr files 
> (like xtc-groups for .xtc files). Since I need the forces and 
> velocities, xtc trajectory won't work.

There is no equivalent option.  You can extract forces and velocities after the 
simulation using g_traj and any index group of your choosing.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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