AMBER Archive (2009)

Subject: Re: [AMBER] AMBER job restart problem

From: case (
Date: Sat Aug 15 2009 - 10:40:51 CDT

On Sat, Aug 15, 2009, Ashish Runthala wrote:

> It should run correctly in these small number of steps.
> But i am doubting why it crashed on a larger number of steps.Please Answer that.

I have no idea...but I doubt it is related to the number of steps, per se.
By running the suggested tests, you can compare a restart that "works" with
what you are doing that fails. Slowly morph the inputs from the working
example to the failing one, (e.g. increasing the number of steps, etc.) to
narrow down the source of the problem.


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