[AMBER] FW: Problem reading PDB residues in AmberTools-1.3

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From: Hopkins, Robert <hopkins.uhcl.edu>
Date: Fri, 5 Feb 2010 09:37:09 -0600

Amber users,

I just realized I should have also sent the PDB file with the e-mail below.

Thanks,
Bob Hopkins

________________________________

From: Hopkins, Robert
Sent: Thu 2/4/2010 8:10 PM
To: Amber Mailing List (AMBER.ambermd.org)
Subject: Problem reading PDB residues in AmberTools-1.3

Hi Developers and Users,

I'm using AmberTools-1.3 in a Cygwin environment. After I created several PDB files in ptraj, I then loaded each of them into xleap for further processing. The leap.log in each case indicates that *none* of the residues (e.g., DC5, DG, Na+, WAT, etc.) was recognized by xleap (or by tleap when I tried that), yet the functioning of either leap program appeared to be fine otherwise. An example leap.log file is attached. Any suggestions would be greatly appreciated!

Thanks,
Bob Hopkins

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application/octet-stream attachment: leap.log

application/octet-stream attachment: IRxequ15ctr.pdb

Received on Fri Feb 05 2010 - 08:00:02 PST