Fw: [gmx-users] hessian conversion

[Yao Yao]

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
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