On 7/27/12 11:31 AM, Andrew DeYoung wrote:
Hi,
Thanks, Justin! Is it possible to set the start time as t = 10 ns instead
of t = 0? When I pass the checkpoint to grompp with -t, the simulation
starts at t =0 by default. Is there a way to change this, such that I will
be able to easily concatinate the two trajectories using trjcat (i.e.,
concatinate t=0 ns to t=10 ns and t=10 ns to t=20 ns) if needed?
The starting time is set with the tinit keyword in the .mdp file. Otherwise,
trjcat -settime overrides the time values set in the trajectory.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
