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

Suhaib Shekfeh s.shekfeh at gmail.com
Fri Dec 5 07:20:55 PST 2008


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

anyidea about the reason for this ??

On Fri, Dec 5, 2008 at 1:45 PM, Suhaib Shekfeh <s.shekfeh at gmail.com> wrote:

> Hello all
>
> 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
>
>
>
> --
> Pharmacist. Suhaib Shekfeh
> Medicinal Chemistry
> Institute of Pharmacy
> Martin-Luther-Universität Halle-Wittenberg
> Wolfgang-Langenbeck-Str. 4
> 06120 Halle (Saale), Germany
>
>
>


-- 
Pharmacist. Suhaib Shekfeh
Medicinal Chemistry
Institute of Pharmacy
Martin-Luther-Universität Halle-Wittenberg
Wolfgang-Langenbeck-Str. 4
06120 Halle (Saale), Germany

Tel:    0049 176 27633866
Fax:    0049 345 5527355
Local Time : GMT + 1
E-Mail: s.shekfeh at gmail.com
http://pc.pharmazie.uni-halle.de/akmedchem/mitarbeiter/_apotheker_suhaib_shefeh/
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