Re: [AMBER] Optimize in Gaussian with RESP

From: David A Case <david.case.rutgers.edu>
Date: Fri, 11 Mar 2016 07:19:43 -0500

On Fri, Mar 11, 2016, Jesmita Dhar wrote:

> saveAmberParm UNK UNK.parm UNK.rst
> Checking Unit.
> Building topology.
> Building atom parameters.
> Building bond parameters.
> Building angle parameters.
> Could not find angle parameter: CM - OS - CB
> Could not find angle parameter: OS - CB - CT
> Could not find angle parameter: CT - CB - CT

...etc

We need to know all of the commands you entered into LEaP, not just the last
one. It looks like you did not load an Amber force field, but that is just a
guess.

...dac


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Received on Fri Mar 11 2016 - 04:30:04 PST
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