>In an implicit, non-periodic system, it is more likely that the ligand will >float away from the protein. I've tried it and that's all that ever happens. >Moreover, the current Gromacs version does not support implicit solvent on GPU >and the previous version that did had very limited functionality. > >-Justin
Hm, I am probably completely wrong about this, but can you do implicit solvent and Periodic Box Conditions? If so, does it give similar ns/day? 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
