[gmx-users] Partial Charge Units in GROMACS.

Travis Trudeau ttrudeauster at gmail.com
Mon Sep 10 03:34:12 CEST 2007


My apologies if this question is rather elementary, but we are uncertain
what the units of partial charge are in GROMACS (i.e. in library files like
ffG43a1.rtp) - we are assuming they are units of elementary charge (i.e.
charge of one electron/proton = 1)

Thank-you.

-Travis Trudeau
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