AMBER Archive (2004)

Subject: AMBER: bad crd file

From: John (john.dalmaris_at_imperial.ac.uk)
Date: Mon Feb 16 2004 - 09:30:26 CST

Hello Amber users,

 

I have carried out a big simulation but unfortunately when I tried to use
the crd files in Carnal I realised that some of them are corrupted. I would
like ask whether there is any way of identifying the bad crd set without
having to run the simulation again. I found in the archives a relevant reply
by Bill Ross : "..try reading the damaged file in carnal & writing it out
unmodified - the last, damaged crdset will be ignored and the new file
should be ok for further operations."

 

Could you please explain how exactly I can read the crd file in carnal and
write it out unmodified?

 

Many thanks for the help.

 

Best wishes,

 

John

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