On Fri, 13 Aug 2010 18:23:40 -0400 "Justin A. Lemkul" <jalem...@vt.edu> wrote: > 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.
Or, you can just tell g_energy to calculate the density - if it's constant then so is the volume... -- ------------------------------------------------------ Jussi Lehtola, FM, Tohtorikoulutettava Fysiikan laitos, Helsingin Yliopisto jussi.leht...@helsinki.fi, p. 191 50632 ------------------------------------------------------ Mr. Jussi Lehtola, M. Sc., Doctoral Student Department of Physics, University of Helsinki, Finland jussi.leht...@helsinki.fi ------------------------------------------------------ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
