[gmx-users] Error in energy groups
masoud keramati
keramati.ma3oud at gmail.com
Sun Jul 24 21:17:53 CEST 2016
Hi all
i have a protein with six chain.
i create an index file that include each chain (chA chB ..)
in mdp file i define energy groups such that:
energygrps = chA chD
for grompp i used this command:
gmx grompp -f md.mdp -c npt.gro -n chains.ndx -p topol.top -o A-D.tpr
but i got this error:
"Group Non-Protein referenced in the .mdp file was not found in the index
file.
Group names must match either [moleculetype] names or custom index group
names, in which case you must supply an index file to the '-n' option
of grompp "
what's wrong with this?!
thank for your help : )
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