build-blocks:

- modulefiles added

scripts/MPI/gromacs/modulefile

@@ -0,0 +1,21 @@
+#%Module1.0
+
+source		$env(PSI_LIBMODULES)
+
+set whatis	"GROMACS is a versatile package to perform molecular dynamics"
+set url		"http://www.gromacs.org/"
+set license	"See PREFIX/share/doc/COPYING"
+set maintainer	"Antonio Benedetto <antonio.benedetto@psi.ch>"
+set help	"
+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.
+
+It is primarily designed for biochemical molecules like proteins, lipids and
+nucleic acids that have a lot of complicated bonded interactions, but since
+GROMACS is extremely fast at calculating the nonbonded interactions (that
+usually dominate simulations) many groups are also using it for research on
+non-biological systems, e.g. polymers.
+"
+
+set-family	MPI