Restarting aborted NAMD run

From: Raman Preet Singh (ramanpreetsingh_at_hotmail.com)
Date: Sun Jul 12 2020 - 03:56:22 CDT

Dear All,

I am a new NAMD user and have a very trivial question.

I ran a simulation which got aborted at step 12975000 (the last step in .xst file) due to power outage. Looking through the NAMD mailing list and NAMD tutorial, I believe that I need to restart my simulation with firsttimestep set to 12975000. Then I need to concatenate the two dcd files. Is this the correct way?

Thanks,
Raman

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