On Sat, Jul 06, 2013, mina madah wrote:
>
> I am using amber 10, I am running Amber Tutorial A1 "setting up a DNA
> -Ligand System", when I use ./esp.sh floB_hf.gout , for converting
> Gaussian output format to the RESP input format, I face with this error:
> xlf: Command not found.
"xlf" is a fortran compiler, but it is not present on your system. Try
replacing it with "gfortran" (of course checking the gfortran is indeed
installed....)
You can google on "command not found" and get lots of good information, useful
if (as it appears) you are unfamiliar with Linux/Unix operation.
Also: note what the tutorial says about doing this at all:
"For most complex systems these days the best option is probably to use R.E.D.
since this provides more reproducibility and is designed to automate multiple
orientation fits etc and also makes it easier for others to reproduce the
charge calculations."
...dac
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Received on Sat Jul 06 2013 - 06:00:02 PDT
