radical-collaboration / extasy-bpti

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Data Staging (Starting new ExTASY Session from where previous ExTASY Session has completed) #2

Open FranklinBetten opened 6 years ago

FranklinBetten commented 6 years ago

ExTASY does not currently offer the option to start a new simulation from where a previous simulation left off.

There is also an option the the gmxcoco.wcfg script, "staring iter = " which can be set to whatever iteration the user sees fit. At the moment setting this variable does not change the starting iteration. All simulations still start form 0. It looks like this was a desired feature that was not fully completed.