[gmx-users] which force file has parameters for creatine md simulations

Olga Ivchenko olga.ivchenko at gmail.com
Fri Nov 5 11:02:37 CET 2010

Dear All,

I want to do molecular dynamics with creatine. But I can not transform
creatine pdb file downloaded from drugbank to gromac topology file using
command: pdb2gmx -f

Please can you write me if there is a force filed for which creatine
parameters are already exist and I can use this forcefield for simulations?

I have attached pdb file.

Thanks in advance,
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