Hi,
I am attempting to perform MD stimulations with a protein containing an FAD
cofactor, however, I keep receiving the following error message:
Charge model: AMBER ff14SB
Assigning partial charges to residue FAD (net charge -2) with am1-bcc method
Running ANTECHAMBER command:
/Users/alwaterbury/Desktop/Chimera.app/Contents/Resources/bin/amber14/bin/antechamber
-ek qm_theory='AM1', -i
/var/folders/wd/pdz6gvr12ybbxtfs6m6mn1y80000gn/T/tmpUR9bIs/ante.in.mol2 -fi
mol2 -o
/var/folders/wd/pdz6gvr12ybbxtfs6m6mn1y80000gn/T/tmpUR9bIs/ante.out.mol2
-fo mol2 -c bcc -nc -2 -j 5 -s 2
(FAD)
(FAD) dyld: Library not loaded: /usr/local/lib/libquadmath.0.dylib
(FAD) Referenced from:
/Users/alwaterbury/Desktop/Chimera.app/Contents/Resources/lib/libgfortran.3.dylib
(FAD) Reason: image not found
(FAD) Running:
/Users/alwaterbury/Desktop/Chimera.app/Contents/Resources/bin/amber14/bin/bondtype
-j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
(FAD)
(FAD) Running:
/Users/alwaterbury/Desktop/Chimera.app/Contents/Resources/bin/amber14/bin/atomtype
-i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
(FAD) Total number of electrons: 408; net charge: -2
(FAD)
(FAD) Running:
/Users/alwaterbury/Desktop/Chimera.app/Contents/Resources/bin/amber14/bin/sqm
-O -i sqm.in -o sqm.out
(FAD) Error: cannot run
"/Users/alwaterbury/Desktop/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 FAD
Check reply log for details
Any help/suggestions would be much appreciate!
Best,
Amanda
