Re: AMBER: phe-phe simulation

From: Carlos Simmerling <>
Date: Mon, 26 Mar 2007 08:20:52 -0400

you need to tell us more. what do you mean by "fix" the rings,
and why do you think it would pucker them?

On 3/26/07, deepti nayar <> wrote:
> hi
> I am carrying out phe-phe simulation and I have to fix the phenyl
> rings. I fear whether it would cause puckering of phenyl ring thus
> giving rise to unnecesary high amount of energy? any sugguestions
> would be greatly appreciated.
> thanks
> deepti
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Received on Wed Mar 28 2007 - 06:07:23 PDT
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