[gmx-users] Martini + Elnedyn

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Oct 28 16:04:23 CET 2014

Hi Adriana,

By default, with martinize, the elastic network will be applied to each
chain separately. You'll need to explicitly merge chains to have a network
between two chains. So you should be fine following the tutorial like that.



On Tue, Oct 28, 2014 at 3:01 PM, Adriana Garro <adrianagarrosl at gmail.com>

> Dear Gromacs users,
> I am interested in apply Martini + Elnedyn to my system so I followed the
> tutorial:
> http://md.chem.rug.nl/cgmartini/index.php/proteins#elnedyn
> and it works well, now I am using the same script provided by the tutorial
> but as my system is  different (I am trying to use TMD as well) I would
> need to perform some modifications, for example I dont want  elastic
> network between the 2 molecules because they are not different chains of
> the same macromolecule like in the tutorial so my question is: is it
> possible to use in the same box 2 differents networks one to each molecule?
> Can someone suggest some tutorial or paper related to this topic?
> Thanks in advance.
> Best,
> Adriana
> --
> 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.

Tsjerk A. Wassenaar, Ph.D.

More information about the gromacs.org_gmx-users mailing list