Re: [AMBER] ligand topology genaration

From: David A Case <>
Date: Thu, 7 Jan 2016 08:04:12 -0500

On Thu, Jan 07, 2016, neha chaudhary wrote:
> For protein:
> >tleap
> >source leaprc.gaff
> >receptor = loadPDB protein.pdb
> Then error message came. I am attaching the error file herewith.

For a protein, you need to load one of the standard Amber force fields,
e.g. "source leaprc.ff14SB". The leaprc.gaff file is for ligands or other
small molecules that were parameterized with gaff atom types.

...good luck...dac

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Received on Thu Jan 07 2016 - 05:30:03 PST
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