[gmx-users] regarding Ionic currents

Mark Abraham mark.j.abraham at gmail.com
Sat Jan 3 15:26:26 CET 2015


Hi,

The first place to look is in that NAMD paper. You need to know the details
in order to replicate them.

Mark

On Sat, Jan 3, 2015 at 3:13 PM, Sathish Kumar <sathishk238 at gmail.com> wrote:

> Dear gromacs users,
>
>                                 I have seen one paper in that ionic
> currents were calculated using NAMD. The ionic currents calculated for the
> systems contain single peptide, dimer and trimer along with 1 M NaCl. Based
> on the changes in the ionic current, the size of the system was identifed.
>
> Ionic currents how can be calculated in gromacs, please suggest me how to
> do those type of calculations.
>                                          Thank you.
>
> regards
> M.SathishKumar
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