[gmx-users] meaning of -sigfac option in gmx sigeps

[Mark Abraham]

Hi,

gmx help sigeps shows that -sigfac is just sugar for helping inspect the
plot. Otherwise, I have no idea.

Mark

On Thu, Aug 3, 2017 at 4:18 PM Tamisra Pal <tamisra1985 at gmail.com> wrote:

> Hi All,
> Can anyone help me regarding the -sigfac option in gmx sigeps?
> What does this -sigfac mean?
> And, is the C6, C9 terms correspond to the C6, C9 terms in the
> ffnonbonded.itp?
>  I am using the LJ potential form,
> U(r) = (27/4)*epsilon [ (sigma/r)^9 - (sigma/r)^6 ]
>
> any help would be appreciated
>
>
>
> --
> Tamisra Pal
>
> Post Doctoral Research Fellow
> Technische Universität Darmstadt
> Institut für Festkörperphysik
> Hochschulstraße 6
> 64289 Darmstadt , Germany
>
> <callto:+496151165569 <+49%206151%20165569>>
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