[gmx-users] Dipole calculation for one residue.

Dawid das addiw7 at googlemail.com
Tue Aug 19 19:16:29 CEST 2014

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

Thank you,

Dawid Grabarek

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