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
