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

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? -- Gromacs Users mailing list * Please search

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

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 ra...@kaist.ac.kr wrote: Dear all, Experimentally determined charges and non-bonded interaction values for ligand atoms