[gmx-users] Script for looping n simulations

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Sat Feb 15 17:44:42 CET 2020


Hello gromacs users,

I was wondering how to write a script to repeat a simulation (equilibration and production) n times, with each cycle starting with structure from the end of previous cycle.

Many thanks,
Neena


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