I successfully ran version 4.5.3 to simulate a small DPPC bilayer patch using the files from Marrink's website by typing:
/usr/bin/grompp -v -f mem.mdp -c mem.gro -p mem.top -o topol.tpr -maxwarn 100 mdrun In the .mdp file I then added the line "userreal1=0.1" and typed /usr/bin/grompp_d -v -f mem.mdp -c mem.gro -p mem.top -o topol.tpr -maxwarn 100 mdrun_d -rerun traj.xtc -v Everything ran smoothly, but I don't see any localpressure.dat file sitting in my directory. How can I get it? Thank you! --Max -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
