AMBER Archive (2007)

Subject: Re: AMBER: Restart Files

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Fri Mar 02 2007 - 15:28:26 CST

Hi Steve,

I really don't see anything strange... My guess is that you are probably
right in that it has something to do with your computer, not Amber...

Are the results coming out ok now? Do they take about the same time to
show (~20min per printout) or is it faster now?

Gustavo.

Steve Seibold wrote:
> Hi Gustavo
> I am sending you my output file to show you were it pauses for an
> extended period of time (~ 20 minutes). It has now started printing the
> "Results" to the output file.
>
> Thanks, Steve
>
> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of Gustavo Seabra
> Sent: Friday, March 02, 2007 1:06 PM
> To: amber_at_scripps.edu
> Subject: Re: AMBER: Restart Files
>
> Hi Steve,
>
> My first thought is that you could have a large ntpr, so that it is
> taking longer to reach the point to print anything. However, the
> simulation should *not* get stuck at the "3" part. You should at least
> see the header for the "4. RESULTS" part. Can you give us more details,
> maybe some input fiiles?
>
> Gustavo.
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