[gmx-users] ffbond.itp

[marzieh dehghan]

Hi every body
*in order to complete ffbond.itp for new covalent bond, we use the
following article A Biomolecular Force Field Based on the Free Enthalpy of
Hydration and Solvation: The GROMOS Force-Field **Parameter Sets 53A5 and
53A6",but we can't find out how to solve these problems?*
*1-Gromos angle (ga_????) for "CH1-C-CH2"?*
*2-How to determine "atom type" for oxygen bonded to phosphate group?*
CH2OPO-23
*3-Dihedrals parameters for the following cases:*
*C CH1 O CH2*
*CH2 OA P OM*
*CH1 CH2 OA P *
*CH2 CH1 OA H*
*CH1 CH1 CH1 CH2*
*C CH1 CH1 CH1*

*CH1 CH1 C CH2*
thanks a lot

best wishes


*-- *




*Marzieh DehghanPhD Candidate of BiochemistryInstitute of biochemistry and
Biophysics (IBB)University of Tehran, Tehran- Iran.*