(no subject)

From: Narang Manpreet Kaur <preetdbs_at_iitr.ernet.in>
Date: Sat 16 Nov 2002 15:17:02 +0500 (GMT)

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
 imin=0, nmropt=1,nstlim=10000, ntx=1, irest=0, cut=9.0, ntpr=100,
 ntt=1, temp0=300.0, taup=1.0, ntb=1, ntc=2, tol=.000001, ntpr=1000,
 ntwx=100, ntwv=100, ntwe=100, ntr=1
 group input
 RES 1

But it gives the following error REFERENCE ATOM COORDINATES


        ----- READING GROUP 1; TITLE:
      initial equillibration of the system
       rfree: Error decoding variable 1 3 from:
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
Received on Sat Nov 16 2002 - 02:17:02 PST
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