Dear Amberites,
I am running DRU-DNA complex on AMBER6 in vacuum.When I am running
Minimization.
It shows following error:
****************************
Ewald PARAMETER RANGE CHECKING:
parameter skinnb+cutoffnb: (nonbond list cut) has value 0.90000E+01
This is outside the legal range
Lower limit: 0.00000E+00 Upper limit: 0.00000E+00
Check ew_legal.h
******************************************
My input file is:
B&cntrl
imin=1, ncyc=50, maxcyc=1000, nmropt=1, cut=8.0,
ntpr=100, ntb=1, scee=1.2, ntr=1, scee=1.2
&end
&wt type='REST', istep1=0,istep2=1000,value1=1.0,
value2=1.0, &end
&wt type='END' &end
LISTOUT=POUT
DISANG=cgadmhb_lessout
restrain
10.0
RES 1 14
END
END
******************************************
I am not understanding why lower and upper limit are same in Ewald
PARAMETER RANGE CHECKING .I have checked ew_legal.h file but I could not
get head and tail of it.
Please help.
Thank you
Monica
IITR
India
Received on Tue Nov 12 2002 - 05:42:21 PST
