Hello –

 

Can you please send the entire input and PQR file?

 

Thanks,

 

--

Nathan Baker

Laboratory Fellow and Technical Group Manager

Applied Statistics and Computational Modeling

Pacific Northwest National Laboratory

+1-509-375-3997

http://www.linkedin.com/in/nathanandrewbaker/

 

From: Ooker [mailto:ganuongphap@gmail.com]
Sent: Sunday, May 18, 2014 9:57 AM
To: apbs-users@lists.sourceforge.net
Subject: [apbs-users] asc_getToken: Error occurred (bailing out).

 

Hi,

When I tried to use this file named input (test is a pqr file already)

 

read

mol pqr test

end

 

by this command

 

apbs input

 

I meet this error

 

Parsing input file input...

asc_getToken: Error occurred (bailing out).

Vio_scanf: Format problem with input.

Parsed input file.

Got paths for 1 molecules

Reading PQR-format atom data from test.

asc_getToken: Error occurred (bailing out).

Vio_scanf: Format problem with input.

998 atoms

Centered at (1.382e+01, 5.283e+00, 8.258e+00)

Net charge -1.40e+01 e

Preparing to run 0 PBE calculations.

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

CLEANING UP AND SHUTTING DOWN...

Destroying force arrays.

No energy arrays to destroy.

Destroying multigrid structures.

Destroying 1 molecules

Final memory usage: 0.000 MB total, 0.667 MB high water

 

I have searched I found this similar problem in this link: http://sourceforge.net/p/apbs/mailman/message/4605762/, but the link Nathan gave has no longer existed.

 

Thank you.

--

Ooker.