Hi Carsten,
thanks for your suggestion. I use mopac7 and now it works. mopac.sh
should call mopac.exe rather than runmopac if you want to use mopac7.
Best,
--Jianwen
-----Original Message-----
From: Carsten Detering [mailto:detering.u.washington.edu]
Sent: Monday, February 09, 2004 11:39 AM
To: amber.scripps.edu; Fang, Jianwen
Subject: Re: AMBER: antechamber error
dear jianwen,
what version of mopac are you usiong? i ran into a similar error when i
used mopac 7, because i thought it would be better to have a more recent
version of mopac. you should use mopac 5010 of minnesota univeristy
(
http://comp.chem.umn.edu/mopac).
then you actually have to edit the mopac.sh script ine $AMBERHOME/exe to
point it to the path where your mopac exe is.
hope this heplps.
carsten
jwfang wrote:
> Dear all,
> 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?
> Thanks in advance!
> --Jianwen
>
> $ 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
> Try `mkfile --help' for more information.
> .dat: No such file or directory.
> Vim: Warning: Output is not to a terminal
> Vim: Warning: Input is not from a terminal
> Unable to find mopac charges in ANTECHAMBER_MUL.OUT
>
>
>
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--
Carsten Detering
University of Washington
Department of Chemistry
Box 351700
Seattle, WA 98195-1700
Fon 206.543.5081
Fax 206.685.8665
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Received on Mon Feb 09 2004 - 18:53:00 PST
