AMBER Archive (2002)

Subject: Re: am1-bcc charges, antechamber

From: Laurent Chiche (chiche_at_cbs.cnrs.fr)
Date: Thu Jul 25 2002 - 04:17:58 CDT

M. L. Dodson wrote:

> On 24 Jul, David A. Case wrote:
>
>>[But yet another aside: I have never been able to find a version of mopac7
>>that works for me, e.g. just compiling under g77 and giving correct results.
>>I've solicted suggestions from the CCL list, but none of the suggested
>>responses would work (again, for me). Certain compilers or "magic options"
>>generally seem to be required, and I've had reports that the Merz group at
>>Penn State has figured this out. Comments from mopac-gurus would be
>>appreciated; see the comments on p.8 of the users' manual for a pointer to
>>a version of mopac5 that I have used.]
>>
> The version compiled by the FreeBSD "ports" collection entry for
> mopac7 specifically mentions:
>
> <quote>
> Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions
> have been assisted greatly by Glenn Johnson <gjohnson_at_nola.srrc.usda.gov>,
> thanks a lot !
> He found that an unusable binary was produced using g77 at FreeBSD 4,
> then it is recommended to use f2c/cc.
> </quote>
>

Getting MOPAC7 from WebMo
http://www.webmo.net/download/mopac7.tar.z

and following the "MOPAC 7 Installation Instructions for Linux"

http://www.webmo.net/support/mopac_linux.html

worked fine for me. As noticed by Bud Dodson, f2c and gcc are used.

Laurent