[gmx-users] atom types consistency between atb and charmm
refmac5 at gmail.com
Thu Jan 4 14:42:00 CET 2018
Hi Gromacs folks,
I was using atb to generate topology files for my ligands and modified
amino acid and needed to change the atom types from atb output to make them
consistent with charmm, the force field I used, since I need to include a
modified amino acid.
I wonder if there is a way to change all the atom types systematically and
automatically or it is the only way to change them manually?
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