[gmx-users] Dipole calculation for one residue.

[Dawid das]

I was trying to calculate total dipole moment for one residue of protein
and I got this error:

Fatal error:
index[1]=972 does not correspond to the first atom of a molecule

Is it possible at all to calculate dipole for one residue inside  aminoacid
chain?

Thank you,

Dawid Grabarek