Re: [AMBER] Can one preserve heavy atom / hydrogen atom ordering in LEaP?

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From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 16 Aug 2011 16:21:17 -0700

> For optimization of calcs, all solute molecules appear before all
> solute ones. This is independant of the order of adding ions/water.

before all *solvent* ones

Bill

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Received on Tue Aug 16 2011 - 16:30:05 PDT

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Maybe in reply to: Fenley, Andrew: "[AMBER] Can one preserve heavy atom / hydrogen atom ordering in LEaP?"

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