Re: [AMBER] LEAP Merging Atom Types

From: David Case <david.case.rutgers.edu>
Date: Fri, 23 Jun 2017 10:57:13 -0400

On Wed, Jun 21, 2017, Govind Hegde wrote:
>
> but LEAP combines "c" from PFC with "ca" from the graphene.

I can't for the life of me figure out what you mean here. You will probably
have to provide actual files to illustrate the problem, and show explicitly
how you concluded that "c" and "ca" got "combined".

....dac


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Received on Fri Jun 23 2017 - 08:00:02 PDT
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