Fw: [gmx-users] hessian conversion

Hi Gmxers, has anyone ever converted the GROMACS hessian (in ps^(-2)) to CHARMM hessian (in KCal/mol), even considering the individual unit, GROMACS hessian numbers are far bigger than those in CHARMM? thanks, Yao -- -- gmx-users mailing listgmx-users@gromacs.org http://lists.grom

[gmx-users] hessian conversion

Hi Gmxers, has anyone ever converted the GROMACS hessian (in ps^(-2)) to CHARMM hessian (in KCal/mol), even considering the individual unit, GROMACS hessian numbers are far bigger than those in CHARMM? thanks, Yao -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/m