# iAPBS/Amber validation/test directory

echo "AMBERHOME: $AMBERHOME"

cd Solvation
./Run.apbs.solv

export TESTsander=$AMBERHOME/exe/sander.APBS
cd apbs_radi
./Run.ion.min

cd pbsa_pgb/iAPBS
./Run.test.sh

cd Minimization
./Run.apbs.min

cd Visualization
./Run.apbs.vis

cd apbs_min/
./Run.apbs.min

cd apbs_radi/
./Run.ion.min

cd apbs_solv/
./Run.apbs.solv

# SM-PBE
cd smpbe
./Run.apbs.smpbe


# MM-PBSA test
cd mm_pbsa
$AMBERHOME/src/mm_pbsa/mm_pbsa.pl test.mmpbsa

# MM-PBSA example
cd mm_pbsa_example/
make
cd 02_MMPBSA_Stability/
diff ras_raf_II_wt_statistics.out.apbs.save ras_raf_II_wt_statistics.out
cd ../03_MMPBSA_Binding
diff ras_raf_II_wt_com.all.out.apbs.save ras_raf_II_wt_com.all.out
diff ras_raf_II_wt_lig.all.out.apbs.save ras_raf_II_wt_lig.all.out
diff ras_raf_II_wt_rec.all.out.apbs.save ras_raf_II_wt_rec.all.out
diff ras_raf_II_wt_statistics.out.apbs.save ras_raf_II_wt_statistics.out

