Hi, all
I run addles and addles.out shows:
"Checking topology sizes against compiled limits
exceeded MAXBND in SIZE.BLOCK.
MAXBND = 7000
nbona = 29490
exceeded MAXBND in SIZE.BLOCK.
MAXBND = 7000
nbonh = 13590
exceeded MAXANG in SIZE.BLOCK.
MAXANG = 8000
ntheta = 45810
exceeded MAXANG in SIZE.BLOCK.
MAXANG = 8000
ntheth = 31230
exceeded MAXDIH in SIZE.BLOCK.
MAXDIH = 15000
nphia = 83880
exceeded MAXDIH in SIZE.BLOCK.
MAXDIH = 15000
nphih = 70380
Change SIZE.BLOCK and recompile."
According previous list, I change the value of /usr/local/amber9/src/addles/SIZE.h to the following:
"maxbnd=50000,maxang=60000,maxdih=100000"
But after I correct SIZE.h, the same mistake still happened as before.
I donot know the reason. Could u give me some advice?
Thanks very much for your help!
Ouyang
School of Pharmacy
University of Queensland
_________________________________________________________________
新年换新颜，快来妆扮自己的MSN给心仪的TA一个惊喜！
http://im.live.cn/emoticons/?ID=18
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Sun Jun 22 2008 - 06:08:10 PDT
