Re: [AMBER] xLeap

From: <>
Date: Thu, 5 May 2016 07:46:54 +0000

What is most likely not recognized, you don't give any details about that, is that the residue and atom names in your PDB have no correspondence in the leap templates. So you will have to figure out what those are and modify your PDB to exactly match those e.g. $AMBERHOME/dat/leap/prep/

From: Ramkumar B []
Sent: 05 May 2016 08:20
Subject: [AMBER] xLeap


There is a tool in nanohub to convert caDNAno files to pdb and psf format.

The pdb files generated from this tool aren't recognized by xLeaP. I have
attached a pdb file generated from the tool.


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Received on Thu May 05 2016 - 01:00:05 PDT
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