Hi Jason,
Thanks a lot for the clarifications ...
However there is another problem ... "make install" in
$AMBERHOME/AmberTools/src exits with an error because is not able to
find a libnetcdf.a file in $AMBERHOME/lib ...
The configure script deposits the netcdf libs in
$AMBERHOME/AmberTools/lib64 ...
I noticed that the structure with "lib64" is specific to Amber Tools 1.5
(I do not have any lib64 directory in my old compilation of Amber 11
with At 1.4)
I could link the netcdf libs to be available from $AMBERHOME/lib but I
am wondering if there are other such inconsistancies and where they are
coming from ....
If you know a better solution, please let me know
Best and thanks a lot for the help with this
Vlad
On 11/22/2011 07:26 PM, Jason Swails wrote:
>
>
> On Nov 22, 2011, at 11:02 AM, Vlad Cojocaru<vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>
>> Ok .. I'll try it. What about MMPBSA.py ? Will this still work by using
>> the system python ?
> It should. As long as the system python is at least 2.4 and at most 2.7, but that is almost always true.
>
>> Also, is the requirement to run the AT*py script before compiling AMBER
>> 11 still valid ?
> The latest patches will run that script for you at the end of configure. If it does that, it will print a message telling you so at the end. If this is the case, you will not have to run it yourself.
>
> HTH,
> Jason
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cellular and Developmental Biology
Roentgenstrasse 20
48149 Muenster, Germany
tel: +49-251-70365-324
fax: +49-251-70365-399
email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Tue Nov 22 2011 - 11:30:02 PST
