Re: [AMBER-Developers] [AMBER] Parmed: Residues cannot be part of 2 molecules! Molecule section will not be correctly set.

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From: David A Case <david.case.rutgers.edu>
Date: Fri, 7 Aug 2020 20:38:35 -0400

On Fri, Aug 07, 2020, B. Lachele Foley wrote:
>
>Do the IS method use Cartesian/bonded nearest neighbors to determine the
>effective radii or do they use molecules? I've always wondered that for
>other reasons.

Just atoms, nothing about molecules.

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Received on Fri Aug 07 2020 - 18:00:03 PDT