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ITTC Bioinformatics Cluster

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FAQs/Howto / GROMACS

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What version of GROMACS is installed ?
Is there a mpi version of GROMACS installed ?
Are there man pages for GROMACS ?

What version of GROMACS is installed ?
Association: GROMACS - Posted on: 2005-11-22
Currently we have installed GROMACS version 3.3. All the binaries can be found in /bio/tools/gromacs/bin/bin .

Is there a mpi version of GROMACS installed ?
Association: GROMACS - Posted on: 2005-11-22
Yes, there are in fact two version of MPI implemented GROMACS, standard mpi and double mpi. The standard version can be run by using the binary mdrun_mpi, the double version can be ran with the binary mdrun_mpi_d. Both versions can be found in /bio/tools/gromacs/bin/bin.

Are there man pages for GROMACS ?
Association: GROMACS - Posted on: 2005-11-22
Yes, all man pages have been installed and environmental variables updated.