[gmx-users] Regarding naming dipeptide in charmm36 Forcefield

Dilip H N cy16f01.dilip at nitk.edu.in
Wed Aug 16 17:47:40 CEST 2017

I want to simulate a small dipeptide with mixture of solvents in charmm36
forcefield, (the solvents are already in charmm36 forcefield), but i am
unable to find any small dipeptide molecule in charmm36 FF, since i have
solvent molecules in charmm36 FF, but not the dipeptide, which would also
be easy in getting the topology file by gmx pdb2gmx command...
So can anybody help me how to find the dipeptide molecules (eg., diglycine)
in charmm36 FF...??

Any suggestions are highly appreciated....

With Best Regards,

Ph.D Student

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