Hi, I would like to use g_sas to determine the surface properties of an organic molecule and was wondering whether to trust g_sas in picking the hydrophobic/hydrophilic atoms. I also saw one can supply an option index file -f_index) for that but nothing is said about the form of this file. Which option is better? I'm using the Charmm-generalized forcefield.
Thanks in advance for the advice, Jernej Zidar -- Windows: Re-Boot, Linux: Be-Root. -- 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
