AMBER Archive (2009)

Subject: Re: AW: [AMBER] atomtypes in gaff

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Jun 25 2009 - 11:42:01 CDT

> 8)addions test Cl- 0
> 9) solvateoct test TIP3BOX 8.0

It's not crucial, but better to solvate then addions, since this method
will give better initial density. (Ions replace individual waters
instead of causing several to be deleted leaving voids.)

Bill

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