[gmx-users] Posres and pressure coupling

Joanne Hanna J.F.Hanna at warwick.ac.uk
Mon Jul 25 23:48:04 CEST 2005


This question probably has a very obvious answer, but if i am using posres on my protein, to allow my water to equlibraite around my protein before i do a full run ( no posres NPT run), should the posres_protein section of the simulation be an NVT? 


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