[AMBER] charmmlipid2amber.py

From: James Starlight <jmsstarlight.gmail.com>
Date: Fri, 6 Jun 2014 16:40:45 +0200

Dear Amber's users!


I have a problem in the conversion charm gui PDB to amber PDB

charmmlipid2amber.py -i b2ar_charm.pdb -c
$AMBERHOME/AmberTools/src/etc/charmmlipid2amber/charmmlipid2amber.csv -o
b2ar_amber.pdb
Error: Number of atoms in residue does not match number of atoms in residue
in replacement data file


here you can find my pdb
http://www.charmm-gui.org/?doc=input/membrane&time=1402044938

I suppose this is some bud isn't it?


TFH

James
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Received on Fri Jun 06 2014 - 08:00:02 PDT
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