On Mon, Feb 09, 2004, jwfang wrote:
> I have been trying to figure out how to use antechamber. I ran the example
> but I got the following error. I installed mkfile-0.1 but not sure if it is
> right package. Could anybody give me some suggestions?
>
> $ antechamber -i tp.pdb -fi pdb -o tp.prepin -fo prepi -c bcc
>
> Running: /usr/local/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
> ANTECHAMBER_MUL.OUT
> mkfile: invalid option -- n
antechamber does not call "mkfile"; as with an earlier message about a week
ago (check the archives), it it likely that this is being called by your
"mopac.sh" file.
> Try `mkfile --help' for more information.
> .dat: No such file or directory.
Again, this looks just like a problem recently reported, where the mopac.sh
file had incorrect parameters.
> Vim: Warning: Output is not to a terminal
> Vim: Warning: Input is not from a terminal
I have no idea what would be calling vim, or why.
Which version of mopac are you using?
....good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Mon Feb 09 2004 - 16:53:00 PST
