Bellow is my command which I used: g_clustsize_d -f traj.xtc -s topol.tpr -n n.ndx -nc nclust.xvg -mc maxclust .xvg -ac avclust.xvg -mcn maxclust.ndx -cut 0.516 -temp Tempe.xvg
Rasoul On Mon, Apr 8, 2013 at 2:04 PM, Justin Lemkul <jalem...@vt.edu> wrote: > On Mon, Apr 8, 2013 at 9:01 AM, Rasoul Nasiri <nasiri1...@gmail.com> > wrote: > > > Dear All, > > > > I tried to use g_clustsize_d program for estimation of temperature of > > cluster/nanodroplet but the temperature output file is empty. Could you > > comment where is the problem? > > > > > Not without seeing your command line. I'd be willing to guess that you > either used an .xtc file (which does not store velocities) or a .trr that > didn't save velocities (i.e. nstvout = 0). > > -Justin > > > > Please note that I can get Temperature of system using g_energy_d but I'm > > interest to know cooling effect of nano-drop after evaporation. > > > > > > Best > > Rasoul > > -- > > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > > > > > > -- > > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) > 231-9080http://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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
