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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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