[gmx-users] charmm topology for unknown residues in GMX

xy21hb xy21hb at 163.com
Fri Sep 5 13:04:51 CEST 2014

Dear all,

I need to build up an unknown ligand in CHARMM force field in GMX,
I understand PRODRG is a very decent choice, however, it only has a GMX force field.
Is there any way I can build up a CHARMM topology for the use in GMX, or convert the PRODRG GMX topology into GMX CHARMM format?

Many thanks,


More information about the gromacs.org_gmx-users mailing list