Re: [AMBER] convert amber topology and coordinates files into gromacs topology

From: Ming Tang <>
Date: Fri, 8 Jul 2016 02:06:57 +0000

Thank you Jason,

I installed parmEd and used your script;

import parmed as pmd

amber = pmd.load_file('prmtop', 'inpcrd')

# Save a GROMACS topology and GRO file'')'gromacs.gro')

but got error:

raise GromacsError('Structure has mixed 1-4 scaling which is '
parmed.exceptions.GromacsError: Structure has mixed 1-4 scaling which is not supported by Gromacs

I used leaprc.ff14SB and leaprc.GLYCAM_06j-1. Do you have any suggestions for me?

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Received on Thu Jul 07 2016 - 19:30:02 PDT
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