Dear all
I am trying a basic minimisation; the following is my input file:
&cntrl
imin=1, maxcyc=100, nptr =20, scee=1.2, nsnb=1000, ntmin=2,
&end
sander_classic -O -i min.in -p topfile.top -c crdfile.crd -o min.out -r
min.rst
-When I run the min I receive the following error message, however I cant
see what is wrong with the input file.
fmt: read unexpected character
apparent state: unit 5 named min.in
last format: (F10.0,10I5)
Unit 5 is a sequential formatted external file
*** Execution Terminated (115) ***
All help gratefully received!
With Regards, E. Galligan
tel: 0115 9515151 ext 66272
mobile: 07968 349629
mobile email: eoingalligan_at_sms.genie.co.uk
(160 char max)
Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
Nottingham University,
University Park,
Nottingham,
NG7 2RD,
UK
Received on Wed Oct 25 2000 - 11:22:00 PDT
