AMBER Archive (2004)

Subject: AMBER: ptraj and LES

From: Guanglei Cui (
Date: Tue May 11 2004 - 16:00:12 CDT

Dear all,

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.


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