[apbs-users] APBS Error reading molecule

[Abhishek Singha Roy]

Hello,

Just trying to be sure that I have been able to post properly. SO posting one last time.

I need some counsel with an APBS error I am getting.

 

For some reason the attached pqr is giving error on APBS for the attached input file.

Parsing input file lh1_pH4.in...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from lh1_pH4.pqr.
Valist_readPQR:  Error parsing atom 1!
Error reading molecules!

Please educate me on this. What is wrong with the .pqr file? Also, the version of APBS I have handy is just a bit old. Might that be a problem?

Many thanks

Abhishek Singharoy