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?
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 07 2016 - 19:30:02 PDT
