CHARMM Development Project Forums User Discussion & Questions Parameter Set Discussion Improper coefficient for carbon in graphene

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Improper coefficient for carbon in graphene #37311 01/29/19 07:28 AM
Joined: Feb 2018 Posts: 2 I isaac72 OP Forum Member
OP isaac72 Forum Member I Joined: Feb 2018 Posts: 2	I use (par_all27_prot_lipid_na.prm) file. but in this file there is no improper coefficient for carbon in graphene. is there any file or article which defines this parameter?

Re: Improper coefficient for carbon in graphene isaac72 #37331 02/12/19 07:07 PM
Joined: Oct 2003 Posts: 782 A alex Forum Member
alex Forum Member A Joined: Oct 2003 Posts: 782	I'm not aware of any parameter optimization studies on graphene. alex School of Pharmacy University of Maryland 20 Penn Street Baltimore, MD, 21201

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