Multiple-type lipid Bilayer System
lipid name:  lign        Total SA_avg:  3373.16        No. of groups:  4
 
PART 1. Total No. of atom names:
Expc.	CMP	SIM
73	74	73
 
PART 2.
ERROR:  exit in the lign.cmp does not exist in the lign.sim
 
The atom names mismatch checking between lign.sim and lign.cmp is complete.
 
PART 3.
The zero atomic density checking in lign.sim is complete.
 
PART 4.
Attention! The Deviation fraction of e- No. for COOH 0.096 exceeds 0.01 !
Attention! The Deviation fraction of e- No. for CH2 0.096 exceeds 0.01 !
Attention! The Deviation fraction of e- No. for CH3 0.094 exceeds 0.01 !
Traceback (most recent call last):
  File "update_lipid.py", line 27, in <module>
    check_Na_Ne(lip,N_lip[lip],SA_tot)       # Call the check_Na_Ne functions
  File "/lustre/ewang125/sc/part1/tri-cer16-80/1/namd/edp_mult_lipids/verify_Ne_mult_lipids/Na_Ne.py", line 144, in check_Na_Ne
    fracdev = abs(gNa_sim - exact_a[lineInd])/exact_a[lineInd]
IndexError: index 3 is out of bounds for axis 0 with size 3
