Hi :) I suspect the volume fluctuations are not symmetric around the idealized volume at 1 bar. I think that would mean that the average volume does not correspond to the idealized volume, as you assumed.
Cheers, Tsjerk On Wed, Nov 3, 2010 at 12:19 AM, Dallas Warren <[email protected]> wrote: > What is the volume fluctuation like just prior to the end of the > previous run (NPT) that is used as the starting point for the NVT run? > > Catch ya, > > Dr. Dallas Warren > Medicinal Chemistry and Drug Action > Monash Institute of Pharmaceutical Sciences, Monash University > 381 Royal Parade, Parkville VIC 3010 > [email protected] > +61 3 9903 9304 > --------------------------------- > When the only tool you own is a hammer, every problem begins to resemble > a nail. > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
