AMBER Archive (2008)

Subject: AMBER: Electric field on atoms in equallibrium

From: Lishan Yao (yaolisha_at_msu.edu)
Date: Tue Apr 01 2008 - 11:55:39 CDT

Hi Amber users:
    I am interested in electric field on atoms of a small peptide where
electrons are treated explicitly. My question is that if I fully optimize
the peptide by QM calculation (saying G03 program), will the field on each
atom be zero?

Thank you in advance!

Best,
Lishan

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