Hprc banner tamu.png

Difference between revisions of "SW:GROMACS"

From TAMU HPRC
Jump to: navigation, search
(GROMACS)
(GROMACS)
Line 1: Line 1:
== GROMACS ==
+
= GROMACS =
GROMACS [http://www.gromacs.org homepage]
+
__TOC__
 
+
==Description==
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
+
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. - Homepage: [http://www.gromacs.org http://www.gromacs.org ]
  
 +
==Access==
 
===Loading the Module===
 
===Loading the Module===
 
To see all versions of GROMACS available on Ada:
 
To see all versions of GROMACS available on Ada:

Revision as of 17:39, 3 March 2017

GROMACS

Description

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. - Homepage: http://www.gromacs.org

Access

Loading the Module

To see all versions of GROMACS available on Ada:

 [ netID@cluster ~]$ module spider GROMACS

To load a particular version of GROMACS on Ada (Example: 5.1.4):

 [ netID@cluster ~]$ module load GROMACS/5.1.4-foss-2016b-mt