Re: [AMBER] How to consider the off centre charges

From: case <case.biomaps.rutgers.edu>
Date: Wed, 2 Sep 2009 16:50:12 +0100

On Wed, Sep 02, 2009, Ashish Runthala wrote:

> Tell me the differences in the solvent minimization (both implicitly
> and explicitly) script for best obtaining the results if i consider
> off centre charges with TIP4P or TIP5P.

I don't expect any differences (compared to water models without off-center
charges). What did you try, and what was the result?

...dac


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Received on Wed Sep 02 2009 - 23:07:45 PDT
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