Dear all, I am trying to calculate the order parameter of lipid acyl chains in a bilayer surrounding a drug molecule using Gromacs. To do this, I defined four regions in the bilayer: two local regions within a considered shell in the x-y plane around the drug (one for the leaflet containing the drug and the other for the opposite one) and two global regions beyond the shell. My problem is that how to find lipid molecules which are located in the local shell in order to make an index group of their carbon chains for calculation of order parameter. Is there any Gromacs' tool for such calculation?
Best regards, -- Seyed Mojtaba Rezaei Sani Institute for Research in Fundamental Sciences (IPM) School of Nano-Science Shahid Farbin Alley Shahid Lavasani st P.O. Box 19395-5531 Tehran, Iran Tel: +98 21 2310 (3069) -- 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.
