AMBER Archive (2003)

Subject: Re: AMBER: carnal iteration deviation from original crd file

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Oct 24 2003 - 10:31:17 CDT

> After a simulation I got 11764 frames. But when I used carnal to calculate
> the RMSd using all my trajectory files (which should add up to 11764) the
> output file gives me an iteration number of 9798. Does anyone have any
> idea why this inconsistency?
 
Are you sure the prmtop and crd files agreed on number of atoms?
Were all trajectory files logged as being opened? Was there any
msg at the end about incomplete coordinate set?

Bill Ross

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