[gmx-users] Martini + Elnedyn

[Adriana Garro]

Hi Tsjerk,

Thanks for your reply.
yes, I will do a test and then I will be ready to more questions ;-)
Best

Adriana

***********************************************************
Dra. Adriana D. Garro
Química Medicinal
Facultad de Química, Bioquímica y Farmacia
Universidad Nacional de San Luis
IMASL-CONICET
San Luis, Argentina

Tel..............:+54 266 4424689  int 6153
e-mail...: adgarro at unsl.edu.ar
e-mail...:  adrianagarrosl at gmail.com


**********************************************************

2014-10-28 16:04 GMT+01:00 Tsjerk Wassenaar <tsjerkw at gmail.com>:

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