QSAR - Ni metal and amber7.0

Hi

Its Zaheer from Dr. Panjawani Center for Molecular Medicine & Drug Research,
Pakistan and need help to solve the problem with Amber. I'm working with
urease inhibitor, and wish to do some simulation studies using amber 7.0.
When we try to load 4UBP.pdb file (containing Ni metal) amber is not
recognizing Ni metal.

I try to do some modification in ff99 file but still I'm unable to safe parm
file for 4UBP.pdb file. I hope some one can guide me how to solve this
problem.

Thanks in advance in due course.

regards

Zaheer

************************************************************************
Syed Zaheer-ul-Haq Qasmi, Ph.D.
Assistant Professor
Dr. Panjawani Center for Molecular Medicine & Drug Research
International Center for Chemical Sciences,
University of Karachi,
Karachi-75270, Pakistan.
Res. # (+92-21) 4590426
Office # (+92-21) 9243232 Ext (309)
HP # (+92-300) 2512436
Fax # (+92-21) 9243190-191
e-mail # zaheer_qasmi-#-hotmail.com
             zaheer.qasmi : iccs.edu
************************************************************************

----- Original Message -----
From: <jjhuusko]~[mappi.helsinki.fi>
To: <qsar_society:accelrys.com>
Sent: Sunday, January 30, 2005 4:49 PM
Subject: Re: QSAR - Membership

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> Dear Stefan,
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> Of course I will help, just say what I sholud do?
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> Sincerely,
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> > Dr. Stefan Belaz,
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> > Debbie Boyer
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Received on 2001-11-04 - 04:23 GMT