[gmx-users] Two-body Bonded Distance

[jolayfield]

>> 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.