[gmx-users] Adding custom residue to Charmm FF in Gromacs

César Ávila clavila at gmail.com
Tue Nov 23 20:22:13 CET 2010


Hi,
I would like to add topology and parameter information for a custom residue
to the CHARMM forcefield on GROMACS 4.5.3. Which are the files that I should
edit for this? Should I also perform some units conversion?
Thanks
Cesar
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