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?
Thanks, Tim Tim Sirk 12C Randolph Hall Graduate Research Assistant Mechanical Engineering Dept Virginia Tech _______________________________________________ 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
