[gmx-users] short peptide adsorption to a solid surface

[Josip Lovrić]

Dear Alexander,

in gromacs you have lots of implemented tools for analysis like to compute
energy between surfacant and surface by energy groups, tilt angle, order
parameter, angle distribution,... But I would suggest you first to look in
previous publication connected with your studies, that could give you some
ideas and also give you better general understanding.

Cheers
Josip

2016-08-01 12:48 GMT+02:00 Alexander Alexander <alexanderwien2k at gmail.com>:

> Dear gromacs user,
>
> I am study the adsorption of a short peptide into a solid surface, I have
> the outputs of a long MD simulation in which I see the peptide come to the
> surface and lie down on the surface, would you please suggest me some
> available tools in gromacs which I can take benefit in order to to study
> such an adsorption, for example to unveil the behavior and role of each
> residue in this adsorption, the C and N terminals ... .
> I have already used "gmx pairdist" to see the distance of each residue to
> the surface, what informative tools else  you would do, please?
>
> Thanks,
> Regards,
> Aelx
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>