[gmx-users] Charges & non-bonded interaction values usage in different force fields

Dr. Vitaly Chaban vvchaban at gmail.com
Tue Jun 24 11:26:44 CEST 2014

Can you perhaps kindly explain us how "charges and non-bonded
interaction values" were "experimentally determined"?

Dr. Vitaly V. Chaban

On Tue, Jun 24, 2014 at 10:37 AM, Rj <rajiv at kaist.ac.kr> wrote:
> Dear all,
> Experimentally determined charges and non-bonded interaction values for ligand atoms ( Written in charmm) can be used directly in gromacs provided charmm27.ff ? or does it need any conversion to use it in gromacs based charmm27.ff?

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