AMBER Archive (2009)

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

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• In reply to: Ashish Runthala: "[AMBER] How to consider the off centre charges"
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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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• Previous message: case: "Re: [AMBER] What is dual topology"
• In reply to: Ashish Runthala: "[AMBER] How to consider the off centre charges"
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