AMBER Archive (2004)

Subject: Re: AMBER: ptraj and LES

From: David A. Case (case_at_scripps.edu)
Date: Wed May 12 2004 - 10:19:00 CDT

On Tue, May 11, 2004, Guanglei Cui wrote:
>
> I'm trying to use ptraj to read a sander8 LES prmtop file. But it seems
> it enters a infinite loop, dumping the following message to the screen
>
> ERROR in scanDouble: ...scanning LES, lesfac
>
> The prmtop file is fairly big, so I won't attach it here. I'd be happy
> to post it somewhere if you're interested.

Have you tried using smaller LES prmtop files, especially those under
amber8/test/LES*?

...dac
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