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CHARMM parameters for Graphene Oxide
#37309 01/26/19 06:36 PM
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isaac72 Offline OP
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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

Re: CHARMM parameters for Graphene Oxide
isaac72 #37332 02/12/19 07:08 PM
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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


School of Pharmacy
University of Maryland
20 Penn Street
Baltimore, MD, 21201

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