AMBER Archive (2006)

Subject: Re: AMBER: How to resume remaining simulation

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Mon Jul 24 2006 - 10:19:56 CDT

Hi,

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).

Guanglei

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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