heiko...@web.de wrote:
-Ursprüngliche Nachricht-
Von: "Justin A. Lemkul"
Gesendet: 01.05.09 03:10:01
An: Discussion list for GROMACS users
Betreff: Re: [gmx-users] configuration does not change in minimization
trajectory
heiko...@web.de wrote:
Hello all,
I am doing a cg minimi
> -Ursprüngliche Nachricht-
> Von: "Justin A. Lemkul"
> Gesendet: 01.05.09 03:10:01
> An: Discussion list for GROMACS users
> Betreff: Re: [gmx-users] configuration does not change in minimization
> trajectory
>
>
> heiko...@web.de wrote:
> > Hello all,
> >
> > I am doing a cg minim
Hello Gromacs Community,
I am trying to set up a system where there is a coarse grained
hydrophobic polymer floor in a solvated water box. I am using the
martini force field with an .itp file for the polymer. The "floor" is
basically the polymer spaced 0.5 nm apart from each other and the bott
Dear all,
I would like to use a force-field that includes both Buckingham and LJ
non-bonded interactions.
I think this cannot be done in an absolutely straightforward way, but
please correct me!
If it is not possible can the LJ interaction be included as a user
specified potential whilst s
Halie Shah wrote:
Hi!
I have just completed a position restrained dynamics run on my protein
with GROMACS 3.3.3 and I generated an xvg file with the g_energy
command...I noticed in this that the energy for time step 0 was 0.88
(near 0) kj mol/S-1/N while the energy for time step 0.2ps was
On Thu, 30 Apr 2009 13:40:58 -0500
ROHIT MALSHE wrote:
Hi all,
I want to simulate a molecule which has many benzene rings attached to each
other. However I want to coarsegrain the system a lot !!
Did you look at the Martini CG force field. It should be help full.
You can google it.
I want
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