Dear gmx-users.Today I want to use g_sas to analyse the DPPC surface area per lipid, however the program halted. My sytem consisted of lipid bilayer and water,and I used g_sas like this:
g_sas -f run -s run Opening library file /usr/local/gromacs/share/gromacs/top/aminoacids.dat Opening library file /usr/local/gromacs/share/gromacs/top/atommass.dat Opening library file /usr/local/gromacs/share/gromacs/top/vdwradii.dat Opening library file /usr/local/gromacs/share/gromacs/top/dgsolv.dat #Entries in atommass.dat: 82 vdwradii.dat: 27 dgsolv.dat: 7 Select a group for calculation of surface and a group for output: Opening library file /usr/local/gromacs/share/gromacs/top/aminoacids.dat Group 0 ( System) has 17365 elements Group 1 ( DPP) has 6400 elements Group 2 ( SOL) has 10965 elements Select a group: 1 Selected 1: 'DPP' Select a group: 1 Selected 1: 'DPP' 3840 out of 6400 atoms were classified as hydrophobic Back Off! I just backed up area.xvg to ./#area.xvg.1# Then nothing happened,no output file. can any one kindly tell me where I am wrong? _______________________________________________ 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
