[gmx-users] Energy Minimisation

Joanne Hanna J.F.Hanna at warwick.ac.uk
Wed Jul 13 20:53:07 CEST 2005


Just a quick question. I have done em (stepp and cg) prior to my md run, but in the em i have not used temperature or pressure coupling. Could someone please tell me if this is a mistake or if the effects will be negliable as the md run will reticfy this. I'm just wanting to put my mind at rest!


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