Re: AMBER: How to resume remaining simulation

From: Guanglei Cui <>
Date: Mon, 24 Jul 2006 11:19:56 -0400


If it's minimization, you may have to do it from the beginning. If it's
dynamics using the restrt file (specified with -r), you can restart it
by using ntx and irest to their appropriate values (see manual).


pkb bioinfo wrote:
> Dear AMBER users,
> I was simulating my protein with NSTEP 50000.Due to power failure it
> stopped
> at NSTEP 36500.I want to continue the remaining simulation.So is there
> any way to
> resume the broken simulation? I will be really greatful for your help.
> Best Regards
> Pravas
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Received on Wed Jul 26 2006 - 06:07:07 PDT
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