Re: Martini 2.2 and ElNeDyn in NAMD

From: XAvier Periole (x.periole_at_rug.nl)
Date: Thu Jul 18 2013 - 03:30:00 CDT

Is there in the NAMD team anyone familiar with the MARTINI implementation?

I strongly discourage people to use it in it current version. If anyone is interested i can help fixing it but if no one is actually interested I would suggest you remove this implementation as it will simply result in people loosing their time trying to use it.

XAvier.

On Jul 3, 2013, at 7:29 PM, XAvier Periole <x.periole_at_rug.nl> wrote:

>
> Hi,
>
> I am trying to upgrade the current RBCG (I assume martini-2.1) to the most recent version (martini-2.2) and implement a version using an elastic network (ElNeDyn) to support the 3D structure of a protein.
>
> It would be extremely helpful to get in contact with the persons who build the current version of the parameter files used for RBCG and the tutorial. May be Ramya Gamini and Danielle Chandler could be the ones :)).
>
> Ideally getting the original scripts used to generates the files would be fantastic.
>
> Best,
> XAvier.
>
> ---------------------------
> XAvier Periole
> MD-Group
> Groningen, The Netherlands.
>

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:23:29 CST