Dear amber users,
i am trying to equilibrate system in water following
the tutorial of DNA- decamer available on amber site.
Here is the input file:
initial equillibration of the system
&cntrl
imin=0, nmropt=1,nstlim=10000, ntx=1, irest=0, cut=9.0, ntpr=100,
jfastw=4,
ntt=1, temp0=300.0, taup=1.0, ntb=1, ntc=2, tol=.000001, ntpr=1000,
ntwx=100, ntwv=100, ntwe=100, ntr=1
&end
group input
10.0
RES 1
END
END
But it gives the following error REFERENCE ATOM COORDINATES
REFERENCE ATOM COORDINATES
mit
----- READING GROUP 1; TITLE:
initial equillibration of the system
rfree: Error decoding variable 1 3 from:
&cntrl
please tell me what does this error means and how to remove it also if I
remove the ntr flag there is no error file runs smoothly.
Research Scholar
Manpreet Kaur Narang
Indian Institute of Technology Roorkee (IITR)
Roorkee 247 667
India
Received on Sat Nov 16 2002 - 02:17:02 PST
