Subject: question on using amber

From: Zhangxd <[email-masked]>
Date: Fri, 22 Dec 2000 15:16:15 -0500

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!