research1695
New Member
Hello Linux users,
I have a job that is to be repeated thrice in the following way. Here em and md refers to energy minimization and data collection stages in the molecular dynamics simulations.
Trial 1: (em0 -> md1 -> em1)
Trial 2: (em0 -> md2 -> em2)
Trial 3: (em0 -> md3 -> em3)
Here the input (em0) is the same for all three trials, only the output file in 1st and 2nd step of each job cycle changes. I know that a forloop will not work here, instead what scripting language to be used here to make this work?
Many thanks
I have a job that is to be repeated thrice in the following way. Here em and md refers to energy minimization and data collection stages in the molecular dynamics simulations.
Trial 1: (em0 -> md1 -> em1)
Trial 2: (em0 -> md2 -> em2)
Trial 3: (em0 -> md3 -> em3)
Here the input (em0) is the same for all three trials, only the output file in 1st and 2nd step of each job cycle changes. I know that a forloop will not work here, instead what scripting language to be used here to make this work?
Many thanks