[gmx-users] Pressure coupling constants

kpsanto santo.kp at gmail.com
Thu Dec 12 18:12:17 CET 2013

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?


K. P. Santo
Post doctoral fellow
Department of Chemistry
University of North Carolina at Chapel Hill
Chapel Hill, NC, USA

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