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== GROMACS ==
 
== GROMACS ==
 
GROMACS [http://www.gromacs.org homepage]
 
GROMACS [http://www.gromacs.org homepage]
  module load GROMACS
 
  
 
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.
 +
 +
===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'''
 +
  
 
[[Category:Software]]
 
[[Category:Software]]

Revision as of 16:31, 20 February 2017

GROMACS

GROMACS homepage

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.

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