[Dock-fans] Problem with Zuo GB/Sa scoring

Scott Brozell sbrozell at scripps.edu
Mon Dec 22 19:03:49 PST 2008


The only known problem with Zou GB/SA Score crashes are on
64 bit platforms:

This has been on the todo list for a while;
if you will use Zou GB/SA on 64 bit platforms then we can
make this a higher priority.

If you are not on a 64 bit platform then:
We gratefully accept detailed bug reports that contain short input
files for reproducible bugs.  In fact those are our favorite ones :)


On Fri, 5 Dec 2008, Suhaib Shekfeh wrote:

> I think I have resolved the problem by determining the right location of the
> parameters files , now I have zou_gbsa_grid files , but the problem
> everytime I invocked dock to make the zou gbsa scoring , it finished in
> seconds with Segmentation fault
> On Fri, Dec 5, 2008 at 1:45 PM, Suhaib Shekfeh <s.shekfeh at gmail.com> wrote:
> > everytime I try to use nchemgrid to generate the GBSA Zou grids after
> > generating the solvent grid .. I got this Error :
> >
> > At line 48 of file nparmrec.f
> > Fortran runtime error: No such file or directory
> >
> > anybody can figure out where the problem .. I couldnt find the missing file
> > nparmrec.f , apparently it is related to the Receptor

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