<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div>Hi,</div><div> I have a long-chain peptide which has a net charge of +5 . I was wondering whether the g_dipole will give any reasonable dipole moment for a molecule with a net charge. Is there any suggestion I should follow regarding calculation of dipole-moment of a charged molecule .</div><div> I found that in the manual it is mentioned that 'For molecules with a net charge, the net charge is subtracted atcenter of mass of the molecule.'. I did not understand what it means. I am using gromacs-4.0.7.</div><div>Sanku</div><div><br></div><div style="position:fixed"></div>
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