[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?

Thanks,

Alex

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