[gmx-users] opls kcal->kj conversion

Tim Sirk tsirk at vt.edu
Sun Feb 18 23:20:20 CET 2007

Wondering if there is a gromacs tool for converting the opls bond,angle,dihedral
constants in ffoplsaabon.itp from kcal to kJ? If not, maybe someone would be
willing to share their code?


Tim Sirk
12C Randolph Hall
Graduate Research Assistant
Mechanical Engineering Dept
Virginia Tech

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