[gmx-users] charge in *.n2t file

[Maryam Kowsar]

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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