[gmx-users] ffbonded.itp

a.omidi at shirazu.ac.ir a.omidi at shirazu.ac.ir
Tue May 24 12:21:03 CEST 2016


​Hi
I want to simulate a glycoprotein, I have defined a new residue with charmm36
I should define some angles, bonds and dihedrals for this new residue in ffbonded.itp file,
also in the ffbonded.itp file there is some other numbers and etc
I dont know what are these and how to define correctly these parametres for my sugar in my protein
could you help me
Thanks



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