[AMBER] Restarting a crushed run

From: DmitryASuplatov <genesup.gmail.com>
Date: Tue, 16 Aug 2016 19:43:44 +0300

Dear Amber users,

I want to continue a crushed run. I use Langevin thermostat.
Do I understand correctly that in order to continue the trajectory
exactly as it would have ran if no crush occurred I need:

- offset "nstlim" for the remaining number of steps
- set "ig" to the exact value used in the previous run (if I used -1 in
the previous run then I have to open the .out file and look for the
particular ig value there).

Please comment.

Thank you for your time.

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Received on Tue Aug 16 2016 - 10:00:02 PDT
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