Thank you Mark, for your answer. This time I have another issue: temperature. What are the ways to control temperature in gromacs (during heating or equilibration phases), other than temperature coupling?
Thank you Carla On Thu, Jan 14, 2010 at 10:40 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > Carla Jamous wrote: > >> Hello, >> I'm experiencing some difficulties with gromacs. In order to control my >> system's density, I have to use g_energy or g_density. >> > > Those tools report density-related quantities, they do not control it. > > > However, when I use g_energy, in my list, "Density" doesn't appear. >> > > g_energy doesn't report the density if you have a constant-volume > simulation (but grompp probably reported it when you generated the .tpr) > > > Else, if I use g_density, it needs a file traj.xtc which I don't have. >> > > Per Erik's point, you can usually use any coordinate file or trajectory > file. > > Mark > > > So please can anyone tell me how to check my system's density in gromacs? >> >> Thank you >> >> Carla >> >> -- > 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 >
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