AMBER Archive (2003)

Subject: AMBER: carnal iteration deviation from original crd file

From: Dalmaris, John (john.dalmaris_at_imperial.ac.uk)
Date: Fri Oct 24 2003 - 06:11:36 CDT

Dear Amber Users,

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?

Thanks for the help.

Best wishes,

John

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