> 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?
Since all energy-related quantities in GROMACS are already in kJ mol-1, what exactly do you want to do? Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
