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