Hello,
I am doing a very basic minimisation of a ligand to get to grips with
the process. Below is my .in file:
&cntrl
maxcyc=200, imin=1, cut=12.0, nscb=20, idiel=0 scee=2.0,
ntpr=10.0,
&end
To start the minimisation, i use:
sander -i min.in -o min1.out -inf min1.inf -c mtx.crd -p mtx.top -r
mtx.min1
However, I get the following error message:
Unit 6 Error on OPEN: min1.out
Thanks in advance for any help
With Regards,E. Galligan
tel: 0115 9515151 x66272
mob: 07968 349629
mob email:eoingalligan_at_sms.genie.co.uk
Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
University of Nottingham,
Nottingham
UK
Received on Fri Jul 14 2000 - 08:47:13 PDT
