>> Where are you adding the virtual particle in relation to all of this?
The virtual particle is included in the ligand residue (#160) but this error occurs in whichever methionine residue has the longest CB-CE distance. They are not spatially near one another and the offending residue is different from trajectory to trajectory given the fluctuations of the MET side chains. -- View this message in context: http://gromacs.5086.x6.nabble.com/Two-body-Bonded-Distance-tp5014864p5014907.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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.
