On 10/11/12 10:17 AM, R.Vidya Rajendran (10PHD013) wrote:
Hello Friends,
I have two very specific queries regarding gromacs output files.
1) Since we can generate .xtc file during mdrun, Is is possible to
stop generating .trr files, because it used to be very huge and less
useful.
Set nstxout, nstvout, and nstfout to zero in the .mdp file. This will suppress
.trr output.
2) .xtc & .tpr files generated by gms4.5.5 version is not readable by
gms4.0.4, Is their any possibility to make readable ?
The .xtc file can be read, the problem is the .tpr file. You would have to
recreate it under version 4.0.4, which requires small topology modifications.
-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
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