Dear all,
The problem was solved..thank you very much!
Lee.
On Thu, Jun 30, 2011 at 8:29 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Thu, Jun 30, 2011, Sheau Chen Lee wrote:
>
> > > > sclee.sclee-Satellite-L645:~$ > $AMBERHOME/exe/tleap -s -f
> > > > $AMBERHOME/dat/leap/cmd/leaprc.ff99
> > > > -s: command not found
>
> This is hard to parse, but you need to try some experiments. I'm assuming
> that the first two lines were originally on the same line. But even in
> AMBERHOME were not set correctly, I don't quite see why you would not
> receive
> an error like "/exe/tleap: command not found".
>
> So, try some combination like this:
>
> which tleap (to ensure that your PATH is correct)
> tleap -f leaprc.ff99SB (to see if you can get things started)
>
> Note that in current versions of Amber, the leaprc.ff99 has been moved to
> the
> "oldff" subdirectory, and hence the above command would not work anyway.
> You
> should *not* be using ff99 unless you really know what you are doing, i.e.
> that you understand that this is an obsolete force field that is not
> recommended for general use.
>
> ...dac
>
>
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>
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Received on Thu Jun 30 2011 - 21:00:03 PDT
