AMBER Archive (2007)

Subject: Re: AMBER: phe-phe simulation

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Mon Mar 26 2007 - 06:20:52 CST

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 <deepti.icgeb_at_gmail.com> 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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