AMBER Archive (2006)

Subject: Re: AMBER: Please reply

From: Ananda Rama Krishnan Selvaraj (ananda.selvaraj_at_chemie.uni-halle.de)
Date: Fri May 26 2006 - 14:36:26 CDT

Hello,

I think..the mistake in your prepin file... there is no bond length and
bond angle values for the atoms from 92 to 239(nan - no atom number)
are missing. May be this could be a reason.

best
anand

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ANANDA RAMA KRISHNAN .S
PhD Student
c/o. Dr. Rudolf Friedemann
Department of organic chemistry
Martin Luther university
Kurt-mothes-str.2
D-06120 Halle (saale),Germany
e-mail: ananda.selvaraj_at_chemie.uni-halle.de
Ph(lab) : (+int) 345 - 5525683
Ph(home) : (+int) 345 - 6802623
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----- Original Message -----
From: Shafinaz <shafinaz_at_bri.nrc.ca>
Date: Friday, May 26, 2006 9:19 pm
Subject: AMBER: Please reply

> Dear AMBER users
>
> I have a problem during the generation of the prepfile of the
> molecule which
> is a steroid linked with a peptide. I tried many ways but could
> not solve
> that problem. I enclosed mol2 file of the molecule and prep file I
> got from
> ANTECHAMBER.
>
> If anybody can help with this I will always appreciate that.
>
> I am eagerly waiting for the reply.
>
> I did not receive any reply for the last 5 days. Please reply soon.
>
> With kind regards.
>
> Shafinaz F. Chowdhury, PhD
> Research Associate,
> Computational Chemistry,
> Biotechnology Research Institute,
> National Research Council of Canada.
> Email: shafinaz_at_bri.nrc.ca
> Tel: 514 496 6338
> Fax: 514 496 5174
>
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