[Apbs-users] Error reading molecules!

[Dhananjay <dha...@gm...>]

Dear all,

I am getting an error message when I tried to run apbs as follows:

$ apbs --output-file=2CDF_pdb1_apbs_out apbs.in > out_apbs
Valist_readPQR:  Error parsing atom 2531!
Please double check this atom in the pqr file, e.g., make sure there are no
concatenated fields.
Error reading molecules!


when I looked in to the atom 2531, it seems that the .pqr file is fine:

ATOM   2527  N   SER A 168      95.877   6.818 -97.906 -0.4157 1.8240
ATOM   2528  CA  SER A 168      95.843   7.558 -99.182 -0.0249 1.9080
ATOM   2529  C   SER A 168      95.716   9.073 -98.993  0.5973 1.9080
ATOM   2530  O   SER A 168      96.172   9.848 -99.831 -0.5679 1.6612
ATOM   *2531*  CB  SER A 168      94.693   7.052-100.063  0.2117 1.9080
ATOM   2532  OG  SER A 168      93.487   6.921 -99.319 -0.6546 1.7210
ATOM   2533  H   SER A 168      95.197   6.071 -97.668  0.2719 0.6000
ATOM   2534  HA  SER A 168      96.714   7.378 -99.664  0.0843 1.3870
ATOM   2535  HB3 SER A 168      94.942   6.161-100.433  0.0352 1.3870
ATOM   2536  HB2 SER A 168      94.547   7.702-100.803  0.0352 1.3870
ATOM   2537  HG  SER A 168      93.707   6.743 -98.362  0.4275 0.0000
ATOM   2538  N   MET A 169      95.108   9.467 -97.874 -0.4157 1.8240


However, I am not able to find out source of this error.

Could anyone, please suggest some direction or solution to resolve this
error.

Thank you.

-- Dhananjay