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

2011-07-25 Thread Igor Marques
n A. Lemkul wrote: > > > From: Justin A. Lemkul > > Subject: Re: [gmx-users] water box size from output files > > To: "Discussion list for GROMACS users" > > Date: Monday, July 25, 2011, 11:15 AM > > > > > > Rabab Toubar wrote: > > >

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

2011-07-25 Thread Rabab Toubar
water box size from output files > To: "Discussion list for GROMACS users" > 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 afte

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. -Just