[gmx-users] g_sas halted

Q733 sansanqin00 at mails.tsinghua.edu.cn
Sat Sep 8 07:25:45 CEST 2007


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?




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