[Dock-fans] Compiling Error

Scott Brozell sbrozell at rci.rutgers.edu
Wed Jun 1 21:18:10 PDT 2011


Hi,

On Wed, Jun 01, 2011 at 07:46:46PM -0700, Eliac Brown wrote:
> I am trying to install Dock6, first of all when I try to apply bugfix.1, it asks me for which file to patch:
> 
> --------------------------
> File to patch: 
> 
> What should I do here? it should be run smoothly as bugfix.2.


Did you follow the recipe in the bugfix.1 file ?:
cd src/accessories;
patch -c amberize_complex bugfix.1;
make install

> Secondly, in the test stage, I checked all the *.dif files to ensure there is no harmful error, everything seems good for me, except the following one:
> In the /nchemgrid_SA_grid_generation/OUTCHEM.dif file:
> <  total SAS =   294.7
> <  nonpolar SAS =   204.7
> <  polar SAS =   90.
> <  nonpolar SAS + polar =   294.7
> ---
> >  total SAS =    853.250
> >  nonpolar SAS =    463.750
> >  polar SAS =    389.500
> >  nonpolar SAS + polar =    853.250

This seems to be the first such report.
Perhaps it is platform dependent; what OS, compiler, etc 
are you using ?
If you do not plan to use the Zou GB/SA Score then 
this test can be ignored.

scott



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