CHARMM Development Project
Posted By: isaac72 CHARMM parameters for Graphene Oxide - 01/26/19 06:36 PM
Hi Dears

I want to use charmm forcefield for graphene oxide.
But i don't know how?
is there anyone to help me?

Regards

Isaac
Posted By: alex Re: CHARMM parameters for Graphene Oxide - 02/12/19 07:08 PM
You're going to have to go through some tutorials and learn how to build new molecules in CHARMM. And take a look at the 2010 CGenFF paper.

alex
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