[gmx-users] topology servers versus ff.

maria khan mariabiochemist1 at gmail.com
Wed Jul 12 11:36:30 CEST 2017

Dear gromacs users..

while using charmm27 can i use PRODRUG for topology building.??

when im using prodrug pdb2gmx gives me error of missing atoms but when i
use charmm ff,it doesnt give me that error,so proceeding with charmm27 i
made ligand topology by prodrug and used it for further simulation,when
comes to adding ions step it gives me error of ""atomtypes CH3 not found"".


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