> On 10/02/2011 11:48 AM, [email protected] wrote: >> 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? > > AFAIK there's no port of the "local pressure" variant of GROMACS to > 4.5.3. You haven't told us whether you think you have one. > > Mark
I don't know if I have a port of the local pressure variant. How do I find out? Or, what version of GROMACS is more compatible with the local pressure variant? Thanks! --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 > -- 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
