[Dock-fans] A problem with showbox

Scott Brozell sbrozell at scripps.edu
Wed Jul 4 11:09:21 PDT 2007


Hi,

On Wed, 4 Jul 2007, Leszek Dobrowolski wrote:

> I have a problem with showbox (in the DOCK 6.1 package)
>
> $ showbox < box.in
>
> (...)
>  sphere file-
>  cluster number-
> fmt: end of file
> apparent state: unit 1 named ./selected_spheres.sph
> last format: (a80)
> lately reading sequential formatted external IO
> Aborted (core dumped)
>
> My "box.in" looks like this:
> Y
> 5
> ./selected_spheres.sph
> 1
> selected_cluster_box.pdb
> <empty line here>
>
> Have you got any ideas, what's wrong with it? What is "(a80)" ?

The header lines of
./selected_spheres.sph
are faulty.
Verify that the file contains a line like this
cluster     1   number of spheres in cluster    12
and compare your sphere file to install/test/grid_generation/struct.sph

a80 is a character data edit descriptor
http://www.fortran.com/F77_std/rjcnf0001-sh-13.html#sh-13.5.11

Searching
src/accessories/showbox.f
for a80 find only one line; take a look.

Scott



More information about the Dock-fans mailing list