On 8/9/12 2:12 PM, Shima Arasteh wrote:
Hi,
Is it possible to view the process of a NPT or NVT equilibration? Which command
in gromacs can generate a .xtc output?
Only mdrun writes .xtc files of simulations. As far as I know, one cannot watch
the simulation in real time but .xtc files can be visualized in a variety of
viewing programs after the simulation is complete.
-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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