[gmx-users] GROMACS 4.5 and MARTINI Force Field Installation
x.periole at rug.nl
Mon Mar 28 10:53:12 CEST 2011
You can use any GROMACS version to run a simulation
with the Martini Force field. IT is only if you want to back-map
your system to an atomistic resolution that you'll have to
use the gmx331 modified version.
On Mar 27, 2011, at 8:25 PM, Edroaldo Lummertz da Rocha wrote:
> Dear GROMACS users,
> I am starting to setup a molecular dynamics simulation and I want to
> use the MARTINI force field. I was reading the tutorial in website: http://md.chem.rug.nl/cgmartini/index.php/tutorial/reverse-transformation
> and I have a beginner question for you: How can I use the MARTINI
> in the GROMACS 4.5? I ask that because the link above provides a
> modified version of GROMACS to perform the mappings between Fine
> Grained and Coarse Grained structures. However, the package provided
> is the GROMACS 3.3.1 version and I don't want to change my GROMACS
> version. I search in CCL and GROMACS mailing list about this and I
> didn't find how to do that. Can you help me? Thanks so much.
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