Searching through this mailing list it seems like some have stated that with a 2 fs timestep (dt=0.002), constraints=h-bonds is fine in general.
The questions I have are: 1) What are some personal opinions on when it is ok to switch to h-bonds from all-bonds for LINCS constraints? Is 2 fs and h-bonds a general practice? 2) Also, if typically 2 fs and h-bonds are ok, what time-step do users (or you personally) generally go to with all-bonds? I am speaking generally here of course. Thanks for your responses. -- Wes Barnett | jbarn...@tulane.edu -- 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
