[gmx-users] NPT and NVT eqquilibruim - membrane simulation

Christopher Neale chris.neale at mail.utoronto.ca
Sat Oct 6 08:54:55 CEST 2012

The answer depends on what you are doing and where you got your starting structure. 
Please provide more information.
Generally, if you are in doubt, then do NVT prior to NPT. Nevertheless, going straight to NPT is often ok.

-- original message --

I'd like to know if it is necessary to run NVT and NPT equilibrium on a membrane-water system? Would only the NPT be sufficient? How can I understand it?

Thanks in advance.


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