Hello, I've performed a energy minimization in Gromacs 2018v4. The structure looked very strange after energy minimization:
There is a big gap in the structure for residue 400-450, which is missing in the initial crystal structure. After energy minimization, gromacs connected residue 399 to 451 with a covalent bond. Here is a screenshot for the structure before and after the energy minimization: http://www.gpcrm.org/tmp/gmx/1.jpg I am just wondering how shall we solve this problem? thanks a lot -- 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.
