[Chimera-users] Add Charges failure (libquadmath)

[Eric Pettersen]

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 <http://sqm.in/> -o sqm.out
> 
> (UNK) Error: cannot run "/Applications/Chimera.app/Contents/Resources/bin/amber14/bin/sqm -O -i sqm.in <http://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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