[gmx-users] Partial Charge Units in GROMACS.
Yang Ye
leafyoung at yahoo.com
Mon Sep 10 10:57:44 CEST 2007
yes.
On 9/10/2007 9:34 AM, Travis Trudeau wrote:
> 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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