AMBER Archive (2000)

Subject: input error?

From: Troy Bothwell (tbothwe1_at_bigred.unl.edu)
Date: Fri Oct 06 2000 - 13:24:02 CDT

Hello all,

I am a new user having problems getting a simple minimization to run. I am
using Amber 6.0 on and SGI Origin 2000 parallel computer. My input is
identical to the min2.in example supplied in the Amber 6.0 manual on p. 27.

--------------------------

minimization run
&cntrl
   imin=1,
   ntb=1, ntc=2,
   maxcyc=500, ntpr=25,
&end

--------------------------

The minimization will be performed on a simple hexapeptide, but I get the
following error when trying to run sander:

rcf:/vol0/home/bothwell/Indoline> sander -O -i min1.in -c ypgdv.crd -p
ypgdv.top

 -o min1.out -r min1.xyz
namelist read: cannot position within current file
apparent state: unit 5 named min1.in
last format: namelist io
Unit 5 is a sequential formatted external file
*** Execution Terminated (170) ***

Any suggestions?

Troy Bothwell
University of Nebraska Lincoln
Dept. of Chemistry