Hi,
If I understand correctly, currently the Gromacs GPU acceleration does not support energy minimization. Is this so? Are there any plans to include it in the 4.6 version or in a later one (i.e. to allow, say, integrator = steep or cg in mdrun-gpu)? I would find such options extremely useful. Thanks, Ifat Shub M.Sc. Student Bar-Ilan University Ramat Gan Israel -- 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
