AMBER Archive (2005)

Subject: AMBER: ew_bspline.h error

From: khn _ (khnb3_at_yahoo.com)
Date: Wed Aug 17 2005 - 22:33:08 CDT

Dear All,

i need help! i tried to run minimization on an
extended protein with 573 residues in vacuo (serial
run) , and i got this error:

   4. RESULTS
--------------------------------------------------------------------------------
 
 ---------------------------------------------------
 
     eedmeth=4: Setting switch to one everywhere
 
 ---------------------------------------------------
 nfft1-3 too large! check on MAXNFFT in ew_bspline.h

i tried to increase the MAXNFFT in ew_bspline.h from
500 to 5000, unfortunately it didnt work out and still
gave the same error, should i increase it to larger
value or it it something else?

i need some advice on this matter
thank you very much in advance

kind regards

                
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