set JOBID=`echo $PBS_JOBID | cut -d'.' -f1`
echo 4025457.abem5.ncsa.uiuc.edu
cut -d. -f1
setenv JOBDIR /u/ac/kw8cr/yank/proof-of-concept/yank
date
cd /u/ac/kw8cr/yank/proof-of-concept/yank
python analyze.py
Traceback (most recent call last):
  File "analyze.py", line 882, in <module>
    (Deltaf_ij, dDeltaf_ij) = estimate_free_energies(ncfile, ndiscard = nequil)
  File "analyze.py", line 668, in estimate_free_energies
    u_kln[:,:,0:N] = u_kln[:,:,indices]
IndexError: invalid index
date
X: no process killed