[gmx-users] Re: pair interaction energy decomposition analysis

[shounakb]

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.