[AMBER] Refinement in explicit solvent

From: Vasantha Kumar <vin.vasanth.gmail.com>
Date: Mon, 11 Apr 2016 10:13:19 +0200

Dear AMBER user

I have calculated nmr structures using GB model igb=5.
I have 10 best models representing low rmsd fluctuation. Now I have to
refine those structures in explicit solvent (TIP3PBOX). My question is,
instead of performing 10 models individual refinement in water, could I
perform only one refinement on average structure from 10 above models.?


thanks a lot in advance, have a nice day!!!!
Vince
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Received on Mon Apr 11 2016 - 01:30:03 PDT
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