hi, AMBERers
I face the following problem. Here is the input file:
&cntrl
ntb=1, imin=1, scee=1.2,
ntc=1, ntf=1, cut=10.0, nsnb=10,
ibelly=1, maxcyc=20, ncyc=300,
&end hold the a pdb 500.0 RES 4 75 END END
-------------------------------------------------------------------------------
&cntrl
1. RESOURCE USE:
getting box info from bottom of parm
getting new box info from bottom of inpcrd | peek_ewald_inpcrd: Box info
not found in inpcrd
EWALD SPECIFIC INPUT:
-------------------------------------------------
NO EWALD INPUT FOUND: USING DEFAULTS
-------------------------------------------------
Largest sphere to fit in unit cell has radius = 0.000
Ewald PARAMETER RANGE CHECKING:
parameter skinnb+cutoffnb: (nonbond list cut) has value 0.11000E+02
This is outside the legal range
Lower limit: 0.00000E+00 Upper limit: 0.00000E+00
Check ew_legal.h
THANKS YOUR ANSWER!
DONG
Received on Wed Jan 17 2001 - 11:13:44 PST
