On 01/01/10, Asmaa Elsheshiny wrote:Dear gromacs users,I tried to make MD simulation using mdrun in the super computer by using the following script:#!/bin/sh#$ -cwd –V#$ -l h_rt=1:00:00#$ -pe mx* 4export DO_PARALLEL=”/usr/local/sge6.0/mpi/myrinet/sge_mpirun”export gromacs=/apps/gromacs/64/3
Asmaa Elsheshiny wrote:
Dear gromacs users,
I tried to make MD simulation using mdrun in the super computer by using the
following script:
#!/bin/sh
#$ -cwd –V
#$ -l h_rt=1:00:00
#$ -pe mx* 4
export DO_PARALLEL=”/usr/local/sge6.0/mpi/myrinet/sge_mpirun”
export gromacs=/apps/gromacs/64/3.
Dear gromacs users,
I tried to make MD simulation using mdrun in the super computer by using the
following script:
#!/bin/sh
#$ -cwd –V
#$ -l h_rt=1:00:00
#$ -pe mx* 4
export DO_PARALLEL=”/usr/local/sge6.0/mpi/myrinet/sge_mpirun”
export gromacs=/apps/gromacs/64/3.3.1-ffamber20080701/bin
$ DO
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