Re: [AMBER] PLEASE GIVE SOME SUGGESTION

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 8 May 2012 08:19:32 -0400

On Tue, May 08, 2012, jit mukherjee wrote:

> Ok, I connect the two units by TER. Now, how to define the non-bonded
> parameters between the two units XXX and YYY?

??? You should not need to do anything, since loading both the Amber and the
gaff parm files gives LEaP everything it needs to know.

The usual advice:
1. don't be afraid to experiment
2. Read any error messages carefully; use the search box at the amber mailing
list archives to see if the problem has come up before.
3. if you can't solve a problem and need to ask on the list, be specific
about what you did and exactly what error messages you received.

....dac


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Received on Tue May 08 2012 - 05:30:03 PDT
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