GROMACS version: 2020.3
GROMACS modification: No
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I am attempting to continue a simulation from when it timed out. My simulation made it to production and has a step5_1_prev.cpt file. I am using a script from CHARMM-GUI and am having issues with modifying it. I thought about commenting out the minimization and equilibration steps first. Should I add the -cpi flag to each of the lines in my production script?
Please see the copied link for github repository. I tried pasting the code in this forum and the result was not pretty. Thank you!