[gmx-users] Converting Charmm to gmx format using cgenff

Maryam m.olagunju at fz-juelich.de
Wed Feb 19 16:45:09 CET 2020


Dear gmx users,

I am trying to generate topology for small ligands using cgenff . I will
like to confirm if the Charmm to gmx script available on the Mackerell
website is compatible with all versions of charmm forcefield or can only
be used with Charm36 forcefield. P.S. I have tried it with charm22* and
did not get any error, I will just like to double check.  Looking
forward to your reply.

Best regards,

Maryam



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