[gmx-users] ambconv again

Bruce Ray brucedray at yahoo.com
Sat Mar 15 00:35:19 CET 2008

--- Alan <alanwilter at gmail.com> wrote:

> Hi list!
> I gave a good look at GMX mailing-list but I
> definitely couldn't get ambconv
> (from GMX website) working. I try the patch and I
> still get "Segmentation
> fault".
> I am using antechamber 1.27.
> Is there any kind soul with this ambconv package
> fixed for Linux and working
> with antechamber 1.27? I don't have amber and I am
> not talking about the
> perl version ambconv.pl.
> Could it be uploaded at GMX contribution session?
> The ambconv there is from
> 2002 and definitely doesn't work anymore.

I've attached the version of ambconv I use.  It works
on Mac OS X 10.3.9.
I've not tried it on Linux, but it should work for
After I got ambconv to work, I was not happy with the
results with
sybyl mol2 files.  Therefore, I wrote topolbuild to
give me a gromacs
topology directly.


Bruce D. Ray, Ph.D.
Associate Scientist, and Operations Director
NMR Center
Physics Dept.
402 N. Blackford St.
Indianapolis, IN  46202-3273

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