AMBER: dynamic memory allocation problem in nmode

From: Cenk Andac <cenk_andac.yahoo.com>
Date: Sun, 26 Feb 2006 00:58:14 -0800 (PST)

Dear amber community,

I have been running entropy analysis for MD snapshots
of a 54 KDa system (receptor+ligand) by the mm_pbsa
module of amber8. After sander minimization of the
system, the nmode analysis of the first snapshot fails
giving the following error message.



Total memory required : 423592059 real words

Total memory required : 23938104 integer words

Maximum nonbond pairs 23505795
ASSERTion ' ier == 0 ' failed in nmode.f at line
105.


As far as I know this message pops-up when there is
something wrong with dynamic memory allocation in
nmode. Could anyone of you know know how to
troubleshoot this problem?

regards,

jenk.


__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://www.rosswalker.co.uk/adsense_alternatives/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Mar 05 2006 - 06:10:04 PST
Custom Search