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
Received on Fri Oct 06 2000 - 11:24:02 PDT
