set_SCR: using existing PBS job directory /scratch/batch/45481
set_LSCR: using existing PBS job directory /scratch.local/batch/45481
cd /u/ac/cgaughan
mpirun -np 16 /gpfs1/apps/chemistry/amber/amber11/bin/MMPBSA.py -O -i mmpbsa_g1tetra.in -o G1TETRA_RESULTS_MMPBSA.dat -sp g1tetra.top -cp g1tetra_nosolv.top -rp g1tetra_dimer1_nosolv.top -lp g1tetra_dimer2_nosolv.top -y g1tetra_prod_mdx1 g1tetra_prod_mdx2
MPI: ember-cmp2: 0x1bf000004d755159: Warning: igb=2 should be used with mbondi2 pbradii set. Yours are modified Bondi radii (mbondi)
MPI: ember-cmp2: 0x1bf000004d755159: 
MPI: ember-cmp2: 0x1bf000004d755159: WARNING in safe_close(): Attempting to close a NULL FILE and buffer!
MPI: ember-cmp2: 0x1bf000004d755159: 
MPI: ember-cmp2: 0x1bf000004d755159: Error! Ptraj failed. Check coordinate and topology files for the complex.
MPI: could not run executable (case #4)