Dear All, 

Sorry, I realized that this error was because I hadn't given the parameter file. The latest version (1.3) gave me the detailed error. 

Thanks very much, 
Vignesh

On Fri, Nov 26, 2010 at 8:04 PM, Vigneshwar Ramakrishnan <vmsrvignesh@gmail.com> wrote:
Dear All,

I am trying to calculate the nonpolar contribution for a protein-DNA system and I got the following error. I am attaching the input file that I used as well. Could you please give me some pointers as to what this error means? Thanks very much.

Parsed input file.
Got paths for 3 molecules
Reading PQR-format atom data from mon1.pqr.
  8222 atoms
  Centered at (4.971e+01, 4.898e+01, 5.001e+01)
  Net charge -4.00e+00 e
Reading PQR-format atom data from mon2.pqr.
  828 atoms
  Centered at (4.215e+01, 3.732e+01, 4.989e+01)
  Net charge -2.40e+01 e
Reading PQR-format atom data from comp.pqr.
initAPOL:  Got NULL Vparam object!
Error calculating apolar solvation quantities!
  9050 atoms
  Centered at (4.971e+01, 4.898e+01, 5.001e+01)
  Net charge -2.80e+01 e
Preparing to run 3 PBE calculations.
----------------------------------------
CALCULATION #1 (mol1): APOLAR
finished processing 0


----------------------------------------------------------------------

Sincerely,
Vignesh


--
R.Vigneshwar
Graduate Student,
Dept. of Chemical & Biomolecular Engg,
National University of Singapore,
Singapore

"Strive for Excellence, Never be satisfied with the second Best!!"

I arise in the morning torn between a desire to improve the world and a desire to enjoy the world. This makes it hard to plan the day. (E.B. White)



--
R.Vigneshwar
Graduate Student,
Dept. of Chemical & Biomolecular Engg,
National University of Singapore,
Singapore

"Strive for Excellence, Never be satisfied with the second Best!!"

I arise in the morning torn between a desire to improve the world and a desire to enjoy the world. This makes it hard to plan the day. (E.B. White)