Dear all,
Has someone tried to debug this issue ? I have the same issue under
ubuntu 12.04 in x86_64 HP workstation. It works fine on the structure dummy
atoms. If someone would like to reproduce the problem, there is
a structure attached herewith.
Thanking you
Sushil
On Fri, May 16, 2014 at 3:50 PM, Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk
> wrote:
> Hi,
>
> parmchk2 crashes on the attached mol2 input file (with dummy atoms) but
> apparently only under Ubuntu 12.04 x86_64 (tested on a desktop and a
> laptop machine). Non-dummy systems seem to be all fine.
>
> No problem on other systems (both 32 and 64bit) I have access to.
> Parmchk is fine on all platforms.
>
> The command line:
> parmchk2 -i test.mol2 -f mol2 -o test.frcmod
>
>
> Cheers,
> Hannes.
> --
> Scanned by iCritical.
>
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- application/octet-stream attachment: lig.mol2
Received on Fri Jul 11 2014 - 02:00:03 PDT
