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

shounakb baners4 at rpi.edu
Tue Jun 19 20:25:35 CEST 2012

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


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