AMBER Archive (2009)

Subject: Re: [AMBER] Sander and multiple residues

From: Dan Kaps (dan.kaps_at_yahoo.com)
Date: Fri Apr 10 2009 - 10:01:08 CDT

would it help if i posted the .pdb file?

________________________________
From: David A. Case <case_at_biomaps.rutgers.edu>
To: AMBER Mailing List <amber_at_ambermd.org>
Sent: Friday, April 10, 2009 10:03:57 AM
Subject: Re: [AMBER] Sander and multiple residues

On Fri, Apr 10, 2009, Dan Kaps wrote:

> I did load the coordinates from a .pdb file...Do you have any suggestions for avoiding the overlap?

It's hard to read your log file, since it contains several attempts, and
you seem to still be using "combine". The one "loadpdb" command I see
in the log file gave the message "atom names in each residue must be
unique". You have to fix this problem if you want to use the
coordinates from the pdb file.

...dac

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