[gmx-users] water box size from output files

2011-07-25 Thread Rabab Toubar
Hi I was wondering if there is a way to determine the water box size from the output files after the simulation run is over Thanks Rabab Toubar -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

Re: [gmx-users] water box size from output files

2011-07-25 Thread Justin A. Lemkul
Rabab Toubar wrote: Hi I was wondering if there is a way to determine the water box size from the output files after the simulation run is over Box vectors are printed to the output coordinate file (final snapshot) and can be extracted from along the trajectory from the .edr file.

Re: [gmx-users] water box size from output files

2011-07-25 Thread Rabab Toubar
Subject: Re: [gmx-users] water box size from output files To: Discussion list for GROMACS users gmx-users@gromacs.org Date: Monday, July 25, 2011, 11:15 AM Rabab Toubar wrote: Hi I was wondering if there is a way to determine the water box size from the output files after the simulation

Re: [gmx-users] water box size from output files

2011-07-25 Thread Igor Marques
...@vt.edu wrote: From: Justin A. Lemkul jalem...@vt.edu Subject: Re: [gmx-users] water box size from output files To: Discussion list for GROMACS users gmx-users@gromacs.org Date: Monday, July 25, 2011, 11:15 AM Rabab Toubar wrote: Hi I was wondering if there is a way to determine