Dear GROMACS experts: I'm using a GB implicit solvent function in ver. 4.5.4. When I switched on GMX_NB_GENERIC with implicit_solvent=GBSA, I've got the message, "Fatal error: Death & horror! GB generic interaction not implemented".
I'm wondering that is it difficult to add some code to nb_generic.c for the generic GB electrostatic interaction? If it is not, I'd like to try. I'd like to use GMX_NB_GENERIC for my own modified version of nb_generic.c to utilize Weeks-Chandler-Andersen (WCA) potential. And I'd like to use the WCA potential with the GB implicit solvent. Any info. will be welcome. Thank you for advance. Makoto Yoneya, Dr. AIST, Tsukuba JAPAN Makoto Yoneya, Dr. http://staff.aist.go.jp/makoto-yoneya/ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users 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
