>For the rest of us mere mortals who don't have access to specialized hardware >that allows for 10- or 20-microsecond simulations, the brute force approach is >rather futile. Techniques like steered MD and Hamiltonian replica exchange MD >are probably more feasible. Unbiased simulations of sufficient length, using >"standard" supercomputing hardware, would probably take years. > >-Justin
Do you think implicit water with 10-20 ligands would be able to do it? I see that the gpu accelerated implicit gets about 100-150 ns/day so a 10-20 day simulation would yield that time frame, no? Thanks :) -- 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
