AMBER: problem with distance restraints

From: Ed Pate <>
Date: Mon, 22 Jan 2007 11:43:58 -0800 (PST)

Dear Amber community:

I am attempting to run a GB simulation with NMR distance restraints
between two pairs of atoms and additional restraints on another group of
atoms. For my template, I have tried to use the Amber tutorial .AMBER
Refinement of a DNA Duplex. and the advice for combining the two types of
restraint in

I am using Amber8 compiled with Portland group compilers. Prior to adding
the nmr restraints, I was able to get the job to run successfully with
just the other restraints.

The job now terminates with the following error message:
Warning: Error opening "Old" file from subroutine OPNMRG
  File = DIST

My and DISANG files are appended.

I would appreciate it if anyone sees what I am doing wrong.


Ed Pate

My file follows:
   restrain the following
RES 1 1
RES 3 7
RES 18 43
RES 45 85
RES 91 100

My DISANG file follows:

   ixpk=0, nxpk =0, iat=11899, 1825, r1= 6.6,r2=7.6,r3=8.3,r4=8.8,
      rk2=0. rk3=32.,irg6=1, ialtd=0,
   ixpk=0, nxpk=0, iat=11926, 2911, r1=3.76 , r2=4.76, r3=5.46, r4=5.96,
      rk2=0., rk3=32., irg6=1, ialtd=0,

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Received on Wed Jan 24 2007 - 06:07:26 PST
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