[gmx-users] Regarding REMD using gromacs 4.5.5 in the implicit solvent

[Amit Kumar]

Dear Gromacs user,
I am trying to run REMD in the implicit solvent using gromacs4.5.5 but,
unable to run the simulation. No error is found in the output file. The
only message I am getting in output file is:
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/software/openmpi/lib export
PATH=/tmp/30579.1.32core.q:/home/softwares/intel/compilers_and_libraries_2019.1.144/linux/mpi/intel64/libfabric/bin:/home/softwares/intel/compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin:/opt/openmpi/bin:/usr/lib64/qt-3.3/bin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/home/n.sengupta/.composer/vendor/bin:/opt/ganglia/bin:/opt/ganglia/sbin:/opt/rocks/bin:/opt/rocks/sbin:/opt/gridengine/bin/lx-amd64:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/software/openmpi/bin:/home/n.sengupta/.local/bin:/home/n.sengupta/bin:/home/n.sengupta/software/openmpi/bin
Total number of replicas are 26. Can anyone help and explain what is wrong
in the script and how can I overcome this situation?

Thank You
Amit Kumar