Hi Jason,
I tried one system without carbohydrate, and your script works well in parmEd.
-----Original Message-----
From: Ming Tang [mailto:m21.tang.qut.edu.au]
Sent: Friday, 8 July 2016 12:07 PM
To: amber.ambermd.org
Subject: Re: [AMBER] convert amber topology and coordinates files into gromacs topology
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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
amber.save('gromacs.top')
amber.save('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 - 19:30:03 PDT
