Hello, GMX users, I have a coarse-grained model. Both 1-4 and regular vdw interaction are tabulated, but no electrostatic interaction. Since there is no entry for 1-4 interaction in energy_table. I am thinking to fool gromacs by treating 1-4 interactions as electrostatic interactions, in other words, every time when 1-4 interaction energy needed, I will ask gromacs to calculate COUL energy by reading energy_table. Does anyone know where 1-4 interaction is calculated and how I can switch it to calculate COUL energy in the source code? Any help will be highly appreciated!
All the best! Dongsheng _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
