[gmx-users] Re: Help with minim.mdp
magiofer at gmail.com
Fri Sep 23 10:42:08 CEST 2005
On 9/23/05, Fernando Mattio <mattiofer at gmail.com> wrote:
> Dear Gromacs user,
> I am trying to learn how to use gromacs to perform simulations, and am just
> getting started on this... I am following the "Introduction to Molecular
> Dynamics" course, in the web site
> I am having problems in the Step 2 (Energy Minimization) of the example, I
> just don´t know how to create the minim.mdp file on my computer! Where I
> get this file??
on the page where the point 2 is explained you can download a
minim.mdp example. Anyhow it is a simple text file that you can
compose with the functions that you wish to use, you can find the
correct syntax on the GROMACS manual in the section 7: "run parameters
> It would be great if anyone could help me with this...
> Thanks in advance!
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