problem processing stripped RST/CRD files

From: Michael G Cooney <chemgc_at_panther.Gsu.EDU>
Date: Tue 11 Dec 2001 11:25:20 -0500 (EST)

Dear AMBER users,

I have noticed for some time that, in AMBER 5 at least, if I process a
restart or mdcrd file with PTRAJ and strip the waters, the result is a rst
or mdcrd file that carnal regards as incomplete and is unable to process.
It looks as if the number array is somehow garbled by stripping the water
box so that carnal doesn't see the end of the file properly. I've tried
using carnal itself to remove water but this does not work either. Has
anyone else had this problem? Is there a better way to strip the water?
I'd very much appreciate any suggestions. Thanks very much for your help.


Michael G. Cooney
Postdoctoral Associate
Dept. of Chemistry
Georgia State University
Atlanta, GA 30303
Received on Tue Dec 11 2001 - 08:25:20 PST
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