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lina ________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Olga Ivchenko [olga.ivche...@gmail.com] Sent: Friday, November 05, 2010 6:02 PM To: gmx-users@gromacs.org Subject: [gmx-users] which force file has parameters for creatine md simulations 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, Olga
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