hello, I was trying to simulate a protein of 1200 residues, during NVT run I got error repeatedly that is:
*step 11: Water molecule starting at atom 115665 can not be settled.* *Check for bad contacts and/or reduce the timestep if appropriate.* please tell me what is reason for it and how to solve it?? thank you -- Aman Deep MSc Bioinformatics Jamia Millia Islamia New Delhi - 110025 -- 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.
