Hi, I'd like to ask about solvation energy given in gmx sasa (gromacs 2016) with option: -odg What algorithm is used here, or rather - what values are given for area of particular atom types? I guess there is publication behind this, but the only mentioned in gmx sasa focus on solvation area. Is it the paper written by Eisenberg & McLchlan in 1985? I know this is only rough estimation, but still I'd love if it could be mentioned in program description. Best, Krzysiek Makuch
-- Jagiellonian University Department of Computational Biophysics and Bioinformatics tel.1: (12) 664 61 49 tel.2: (48) 664 086 049 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
