Hi all, I looked at source code in /src/mdlib/genborn.c and have two questions regarding the Still implicit solvent model.
1. in the function calc_gb_chainrule(), only Still model have extra factor of 2 apply on dvda, which I don't know why. 2. in calc_gb_rad_still(), does dccf miss a factor of 2? ( hope I did my math correct....) Thanks in advance! Regard, Chi-xheng
-- 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