AMBER Archive (2002)

Subject: (no subject)

From: Narang Manpreet Kaur (preetdbs_at_iitr.ernet.in)
Date: Sat Nov 16 2002 - 04:17:02 CST

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