Hello. Just writing to say that I tested the implicit solvent in 4.5 beta2. I used CHARMM27 w/ CMAP for a protein dimer simulation. Found mdrun/mdrun_mpi was stable in serial and parallel with 1fs timestep, 2fs caused eventual lincs errors. Let me know if you would like more details of the testing. Thanks for the new release.
Elio Cino
-- 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/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/mailing_lists/users.php
