Dear Sir/Madam,
As I am only have amber 10, I am following the "tutorial 5_amber9" to do the addles.in step in the tutorial.
As my system is very large with ~15000 atom for starting and final geometry. However, when I do $AMBERHOME/exe/addles < addles.in > addles.out, I found the following error message in the addles.out file
"Checking topology sizes against compiled limits
exceeded MAXDIH in size.BLOCK
MAXDIH = 15000
nphia = 18874
exceeded MAXDIH in SIZE.BLOCK
MAXDIH = 15000
nphih = 23061
change SIZE.BLOCK and recompile"
It seems that I have to recompile the amber, however, which module of the amber needed to be recompiled, can I use NED for a large prmtop file like this?
Best regards,
Catherine
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Received on Wed Jul 28 2010 - 21:00:03 PDT
