Thanks Justin, but I did not find them, what I found are Vir-XY, YZ, XX,.... Are these the same as Box-X, Y, Z, or perhaps can be converted to? Btw, I am using 4.0.7 version.
One more Q', I saw your great gromacs tutor...@vt, but I am kinda confused you used both NPT and NVT in position restraint step, while 'official' tutorial by JE Kerrigan only used NPT, would that affect the final results? Sorry, newbie here. Best, Juju ________________________________ From: Justin A. Lemkul <jalem...@vt.edu> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Fri, August 13, 2010 3:23:40 PM Subject: Re: [gmx-users] Check V for NVT 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 ======================================== -- 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
-- 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
