hi,
when I use the amber6.0, the min.in is following,
&cntrl the result is
imin=1, maxcyc=20, ncyc=10, cut=10.0, ntpr=25, ntb=0, igb=1,
&end
and the result is wrong.
NATOM = 4041 NRES = 243
MAXCYC= 20 NCYC = 10 NTMIN = 1 DX0 = 0.010000
DXM = 0.50000 DRMS = 0.00010
Water definition for fast triangulated model:
Resname = WAT ; Oxygen_name = O ; Hyd1_name = H1 ; Hyd2_name = H2
Using modified Bondi radii and Tinker screening parameters
Not enough memory: increase MATOM in nmr.h ~
please give me the reply.
HAPPY CHRISTMAS!
Received on Fri Dec 22 2000 - 12:16:15 PST
