Dear All I want to obtain the instantaneous dipole moment as an output for the OH bond in the pure water molecule simulation. Given the conditions that most of the water models have fixed coordinates and charges during the course of simulation how can I get the same.Is there any possibility of using polarizable water model with flexible charges in GROMACS.
-- DeepaK Ojha -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
