Hello I would like to ask what is the functional form of the uniform neutralising charge distribution applied in Gromacs when doing PME on a charged system.
Is there a correction term for this charge distribution that is included in the calculation of energies? Thanks George _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
