ADL: autodock in cygwin

Jack Shultz jackygrahamez at gmail.com
Thu Nov 15 17:13:10 PST 2007


Excuse me I missed the attachments. I'll run them on my computer and see if
I get the same.

On 11/15/07, Jack Shultz <jackygrahamez at gmail.com> wrote:
>
> Hi Thanh,
>
> Generally I like to comment compute_unbound_extended and set ga_run 1
> That reduces the number of computes like so
>
> #compute_unbound_extended # compute extended ligand energy
>
> ga_run 1 # do this many hybrid GA-LS runs
> Question, what parameters are you using when you run autodock4? I don't
> see any reference to a DPF file.
> Regards,
>
> Jack
>
>
>  On 11/15/07, Thanh Nguyen <nhthanh_ptit at yahoo.com> wrote:
>
> > Hi,
> > I tried to run autodock on unix and it run successfully. However, with
> > the same script and input files, I have this error when using the Windows
> > (cygwin) version
> > ...
> > DPF> ga_run 10
> >
> > n:/autodock/src/autodocksuite-4.0.0-i86Cygwin/i86Cygwin/autodock4:
> > ERROR: n:/autodock/src/autodocksuite-4.0.0-i86Cygwin/i86Cygwin/autodock4:  ERROR:  You
> > must use "set_ga" to allocate both Global Optimization object AND Local
> > Optimization object.
> >
> > n:/autodock/src/autodocksuite-4.0.0-i86Cygwin/i86Cygwin/autodock4:
> > Aborting...
> >
> > n:/autodock/src/autodocksuite-4.0.0-i86Cygwin/i86Cygwin/autodock4:
> > Unsuccessful Completion.
> >
> > Do you have any idea about that? I attached the input, parameter files
> > and the log files. Thank you very much
> >
> > Regards,
> > Thanh Nguyen
> >
> >
> > ---------------------------------
> > Be a better pen pal. Text or chat with friends inside Yahoo! Mail. See
> > how.
> > ________________________________________________
> > --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
> >
> >
>


More information about the autodock mailing list