AMBER Archive (2004)

Subject: Re: AMBER: ptraj and LES

From: David A. Case (
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

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