[gmx-users] PBC problem in bilayer system

shahab shariati shahab.shariati at gmail.com
Sun Sep 14 14:58:24 CEST 2014


Dear Justin




I did MD simulation on the NPT ensemble:


pcoupl              =      Berendsen

pcoupltype      =      semiisotropic

ref_p                 =      1.0



In this condition, to solve this problem, what should I do?


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