Vacuum simulations

From: mohan maruthi sena (
Date: Mon Oct 15 2012 - 14:16:04 CDT

Hi all,
             I want to perform vacuum simulations for a protein using
NAMD under NPT conditions. I am not sure whether I can use PBC /NPT
conditions for vaccum simulations or not. I am sceptical about using PBC
conditions. Can any one suggest whether , I can use NPT and PBC
conditions for vaccum simulations.

Thanking you,

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