Hello gmx-users, I am trying to run a sequence of energy minimizations for a model polymer system. Currently, I do following steps manually: step 1) I run an energy minimization for a configuration. (using mdrun option) step 2) From the output of this configuration, I change something in the coordinate file then run the energy minimization. (using editconf option)
I want to automate this process since the delay between runs is ~15 minutes. My idea is that I can probably introduce time delay in scripts, but it would be nice if there's an option in GROMACS which allows for a sequence of mdruns. Does anyone aware of such option for GROMACS? Greg
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