[gmx-users] regarding Ionic currents

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


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


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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