[Chimera-users] Add Charges failure (libquadmath)

[Subha Kalyaanamoorthy]

Hi,

Thanks very much for that info. You are correct, the latest version doesn't
have this bug.

Best Regards,
Subha

On Mon, Jun 20, 2016 at 1:12 PM, Eric Pettersen <pett at cgl.ucsf.edu> wrote:

> Hi Subha,
> This problem was fixed 11 months ago, so please update to a newer version
> of Chimera.  Also, please report bugs by using the “Report A Bug” entry in
> Chimera’s Help menu rather than sending mail to the chimera-users list.
> Thanks!
>
> —Eric
>
>
> Eric Pettersen
> UCSF Computer Graphics Lab
>
>
> On Jun 20, 2016, at 10:19 AM, Subha Kalyaanamoorthy <kalyaana at ualberta.ca>
> wrote:
>
> Hi There,
>
> I am trying to run charge calculation using Antechamber in chimera, but
> getting an error related to library not found.
> _______________________
>
> Running ANTECHAMBER command:
> /Applications/Chimera.app/Contents/Resources/bin/amber14/bin/antechamber
> -ek qm_theory='AM1', -i
> /var/folders/pq/d4fvmdj542gcnqqjbfm554hr0000gt/T/tmpJCy8sw/ante.in.mol2 -fi
> mol2 -o
> /var/folders/pq/d4fvmdj542gcnqqjbfm554hr0000gt/T/tmpJCy8sw/ante.out.mol2
> -fo mol2 -c bcc -nc 1 -j 5 -s 2
> (UNK)
>
> (UNK) dyld: Library not loaded: /usr/local/lib/libquadmath.0.dylib
>
> (UNK)   Referenced from:
> /Applications/Chimera.app/Contents/Resources/lib/libgfortran.3.dylib
>
> (UNK)   Reason: image not found
>
> (UNK) Running:
> /Applications/Chimera.app/Contents/Resources/bin/amber14/bin/bondtype -j
> part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC
> <http://antechamber_bond_type.ac/> -f ac
>
> (UNK)
>
> (UNK) Running:
> /Applications/Chimera.app/Contents/Resources/bin/amber14/bin/atomtype -i
> ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC <http://antechamber_ac.ac/> -p
> gaff
>
> (UNK) Total number of electrons: 302; net charge: 1
>
> (UNK)
>
> (UNK) Running:
> /Applications/Chimera.app/Contents/Resources/bin/amber14/bin/sqm -O -i
> sqm.in -o sqm.out
>
> (UNK) Error: cannot run
> "/Applications/Chimera.app/Contents/Resources/bin/amber14/bin/sqm -O -i
> sqm.in -o sqm.out" of bcc() in charge.c properly, exit
>
> Failure running ANTECHAMBER for residue UNK
> Check reply log for details
> -----------------------
>
> FYI, I am running on OS X EI Capitan version 10.11.5
>
> Thanks,
> Subha
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>
>


-- 
Dr. Subha Kalyaanamoorthy
Post Doctoral Fellow
Faculty of Pharmacy and Pharmaceutical Sciences
University of Alberta
Edmonton, Canada.
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