you could check your .ndx file and make sure the atoms 389 and 391 are listed under the same group (i.e. protein ROU) Alternately, you could try using energygrps= System Please make sure that the value for energygrps is one of the groups listed in the .ndx file
Shounak -- View this message in context: http://gromacs.5086.n6.nabble.com/pair-interaction-energy-decomposition-analysis-tp4998684p4998705.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
