On Mon, Aug 30, 2010, P Bhattacharya wrote:
> Total number of electrons: 1852; net charge: 0
This is a very large number of electrons, and sqm might take a *long* time.
I suggest you try with much smaller molecules until you are familiar with
antechamber.
The order of flags does not matter on the command line.
> The latter displays : antechamber: command not found
You need to learn how to solve problems like this one on your own. See if a
friend who knows Linux can walk you through what is going on, and/or work
through a tutorial on Linux, to learn about environment variables, your PATH,
and how command line invocation works.
...good luck...dac
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Received on Mon Aug 30 2010 - 14:30:05 PDT
