Rama G wrote:
Hi Gmx users,
I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I
wanna check if the Volume is constant after the simulation.
I tried g_energy but did not find "Volume" in the pool of the options.
Can anyone help me?
Box-X, -Y, and -Z are in the .edr file. From these, you can calculate the
volume.
-Justin
Thanks,
Juju
--
========================================
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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