Hi all I am using NPT ensemble to relax a highly compressed system. I find that the way it relaxes depends on the pressure coupling constant ( berendsen barostat). My question is if the choice of the coupling constant would depend on the system conditions? The compressed system would tend to at expand faster rate and accordingly one should use a coupling constant much smaller than usual?
Thanks Santo ----- K. P. Santo Post doctoral fellow Department of Chemistry University of North Carolina at Chapel Hill Chapel Hill, NC, USA -- View this message in context: http://gromacs.5086.x6.nabble.com/Pressure-coupling-constants-tp5013292.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
