Hello List! I use g_sas to calculate the solvent accessible surface area of some amphiphiles. g_sas gives the result as hydrophobic area! I'm wondering if the hydrophilic part is somehow not recognized, or these terms mean different things in g_sas context? For Triton, for instance, a big surface is hydrophilic, to my knowledge!
I use ffG43a1. Is it a strange behavior to calculate SAS from a UA trajectory? How is the DGsolv calculated by g_sas? and the areas ? which algorithm? where is the code? Is there any program with which one could calculate the volume enclosed by SAS resulted from g_sas? I see different posts in the mailing list addressing the accuracy of g_sas! Well, I'm using gmx 3.3.1; is the accompanying g_sas reliable? Any comment is truthfully appreciated :) Peyman P.S. Edmund Husserl believed, that we would indeed be in a nasty position, if empirical science were the only kind of science possible. -- Peyman Yamin Lehrstuhl fuer Thermische Verfahrenstechnik Universitaet Erlangen-Nuernberg Egerlandstr. 3 91058 Erlangen Phone: +49(0) - 9131 - 85 27671 Mailto: [EMAIL PROTECTED] _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
