Dear Morten ,
Greetings .
I exactly have the same question !
Did you find a way about doing simulation on g-C3N4 by GROMACS ?
I will be grateful if you can let me know about that.
Regards,
Saeed.
On Tue, Dec 6, 2016 at 1:13 AM, Morten wrote:
> Hi,
>
>
> anyone got an idea of the best way to p
Dear Gromacs users ,
I have a xyz file and I used OBGMX ( topology generator ) for that .
Now I have itp and top file , but the problem is I want to change UFF
forcefield ( that used by obgmx ) to gromacs forcefields like Amber03 .
Can you please let me know how can i do that ?
I am new in Groma
Dear Gromacs users ,
I have installed Gromacs by this way :
http://www.gromacs.org/Documentation/Installation_Instructions_5.0#quick-and-dirty-installation
every thing was fine and I could install the package completely .
But now I can't find pdb2gmx command !
Can you please let me know what the
(!) wall potential. This should be 0 or much smaller than
> the LJ sigma.
> But maybe you already tried that. In that case you should energy minimize
> (better) before running MD.
>
> Mark
>
> On Wed, Nov 30, 2016 at 1:21 PM Lamm Gro wrote:
>
> > Dear Gromacs users ,
&g
Dear Gromacs users ,
I am new in Gromacs and I joint to mailing list recently .
unfortunately no one answered my question about lennard-jones wall .
Can you please help me about that ?
I want to use two lennard-jones walls at special distance from each other
at Z direction but I don't know how I c
Dear Gromacs users ,
How Can i change lennard-jones wall s location at Z direction ?
I use lennard jones wall with these command in mdp file :
...
pbc = xy
nwall= 2
wall-atomtype = opls_740 opls_740
wall-type = 9-3
wall-density
Dear Gromacs users ,
I am new in Gromacs so maybe my question is so elementary question ! sorry
about that.
I want to use lennard-jones 9-3 walls for confining water between them .
But the problem is I don't know how I can set epsilon and sigma for these
walls !
Can you please give me an example
