AMBER Archive (2008)

Subject: RE: AMBER: (no subject)

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Feb 13 2008 - 09:21:52 CST

Hi Syed,
 
We'd need to see much more details of what you did to be able to help
properly. The original input files you used, the command lines you issued
and the resulting prep file is really the minimum we'd need.
 
All the best
Ross
 
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From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
Syed Tarique Moin
Sent: Wednesday, February 13, 2008 02:55
To: Amber
Subject: AMBER: (no subject)

Dear all,
 
I am dealing with a protein that is oxygenated one, contain peroxide ion,
Using antechamber to prepare prepin file, Prepin file has been prepared but
in the prepin file it contain an atom named X. When i try to make frcmod
file from this prepin file, It gives an error, unrecognized atom name X.
 
Kindly give me suggestions.
Thanks in advance
Regards

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