Thread: Re: [Apbs-users] ERROR: initAPOL: Got NULL Vparam object!
Biomolecular electrostatics software
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From: Vigneshwar R. <vms...@gm...> - 2010-11-27 08:08:48
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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 < vms...@gm...> 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) |