[gmx-users] Detail of MSD Calculation Method

[behnam ghalami]

Many thanks for your help
How I can gain the source code?

On Sun, Jul 1, 2018, 22:58 Mark Abraham <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> Unfortunately there is only the gmx help output, and the source code of the
> tool itself.
>
> Mark
>
> On Sun, Jul 1, 2018, 16:28 behnam ghalami <ghalamichoobar at gmail.com>
> wrote:
>
> >  Dear Gromacs Users
> >
> > I would like to compute diffusion coefficient using Homemade code by
> below
> > equation;
> > However my obtained results differ from that of gmx msd and there is 5
> > percent difference of msdanalyzer package which I found it in internet.
> > Where I can find a comprehensive detail about numerical procedure
> employed
> > in Gromacs. Any information you can provide me would be greatly
> > appreciated.
> >
> > Regards
> >
> > <
> >
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