[gmx-users] about GROMPP-PR

Xavier Periole periole at inka.mssm.edu
Thu Oct 2 03:05:01 CEST 2003

It means that you are using a group called Protein in your
.mdp file. Probably in the definition of the temperature
control or energy groups.

You have to run make_ndx -f file.gro to generate a index.ndx
that you give in option to grompp by -n index.ndx. in this
index you have to define the groups you use in the grompp.


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