AMBER Archive (2006)

Subject: Re: AMBER: Problems with carnal (Amber7)

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Oct 31 2006 - 11:09:57 CST

> ../../sh3_cryst_NTV_50200ps_orest.mdcrd: sys err Value too large for defined data type
 
> can you tell me what is wrong? Is the file too big for carnal analysis?

Possibly some numbers in the file are run together, making for
a bigger number than can be scanned into a double or float. You
could check your file for this situation. However carnal should
be reading fixed format so that this shouldn't matter.

You could also try making a shorter file (e.g.
'head -N file > file2' where N is number of lines in a crd set)
and see if that works. Also you could try ptraj. Carnal is no
longer supported, in any case.

Bill
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