Dear Gromacs Users, When I run npt equilibrium, I set the step size is 4fs. I go many LINCS WARNING "bonds that rotate more than 30 degrees"
When I reduce the step size to 2fs. All thing is fine. Could someone here explain to me? Finally, I want to use step size is 4fs. Any suggestions for me? Thank you Tuong Vy -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
