[gmx-users] extrnal itp files
XAvier Periole
x.periole at rug.nl
Mon Feb 16 11:10:29 CET 2009
What do you mean by directions?
in your topology file you have to include the file martini_v2.1.itp
as you would do for any other force field!
On Feb 16, 2009, at 11:07 AM, bhf70 wrote:
> It is possible to set an example ?
>
>
> bhf70 wrote:
> > Could you tell me, please.
> >
> > What's directions need the programm pdb2gmx to use external .itp
> files,
> > for example martini_v2.1.itp (Coarse Grained Force Field)?
> >
> > How is it to do ?
>
> There should be instructions accompanying that force field wherever
> you
> got it from.
>
> There's some general information here
> http://wiki.gromacs.org/index.php/Include_File_Mechanism
>
> Mark
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