[gmx-users] charge in *.n2t file

[حسن هاشم زاده]

thank you
در ۱۳ اوت ۲۰۱۵ ۱۷:۰۸، "Maryam Kowsar" <maryam.kowsar at gmail.com> نوشت:

> Hi Hassan,
>
> Charges depends on your system. You can find it either from the related
> articles or calculate it yourself.
>
> On Thu, Aug 13, 2015 at 11:08 AM, حسن هاشم زاده <
> hashemzadehassan at gmail.com
> <javascript:_e(%7B%7D,'cvml','hashemzadehassan at gmail.com');>> wrote:
>
> > hi all
> > I use from "charmm27.ff" force field for my work. below listed the
> > parameter which i used in *.n2t file.  how can find or calculate  charge
> > for each atoms (the third column) for charmm27 force field
> >
> >
> > C    CA    ???       12.011  2    C 0.142   C 0.142
> > C    CA    0.00       12.011  3    C 0.142   C 0.142   C 0.142
> > C    CA    0.00       12.011  3    C 0.142   C 0.142   H 0.108
> > --
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