No, this is not the expanded ensemble version. It's the initial "Running the calculation with Gromacs" section straight out of http://www.alchemistry.org/wiki/GROMACS_4.6_example:_Direct_ethanol_solvation_free_energy
I get the segfault with a single run (at any of the 9 individual lambda values). -- original message -- Just to be clear, is this the expanded ensemble version of the calculation? -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
