[gmx-users] hessian conversion

Yao Yao yao0o at ymail.com
Tue Oct 30 05:27:13 CET 2012

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? 



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