[gmx-users] Umbrella Sampling continuation

Alexander Law alexander.law at pg.canterbury.ac.nz
Thu Dec 4 08:39:14 CET 2014

Dear gmx-users

I am running umbrella sampling and running the last simulations before analysis using this command:

mdrun -deffnm umbrella0 -pf pullf-umbrella0.xvg -px pullx-umbrella0.xvg

Some of my simulations have crashed before completion and I wish to continue them, in the past I have used the state.cpt file, but this doesn't seem to be an option for this type of simulation as the file is not produced. Is there an alternative method?



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