Hi there! I am a Masters student trying to figure things out. I am trying to calculate the contact surface area between two molecules. I am aware of the classic formula, which is CSA = (SASA(complex) - (SASA(molecule1) + SASA(molecule2) ) ) divided by 2 and I am aware that we can make graphs for each of these terms using gmx sasa. However, if I want to make a CSA graph how do I "jump" from knowing how to make the 3x SASA graphs and combine them into one graph?
Thank you a lot! Sebastian -- 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.
