Dear GMX users, Hello, I would like to discuss the grompp message that tells the bonded atoms oscillational period less than 10 times the time step. I am using 0.002 ps time step. The simulation was stopped because of LINCS warming.
Is it need to decrease time step at least 10 times? Instead of this, can I remove constraint and use the 0.0005 ps time step? On the other hand, after long equilibration with 0.0001 time step, can I increase the time step until 0.001? How can I solve this problem? If you have any experience, please let me advice. Thank you. Regards, Mijiddorj -- 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.
