Hi,
The MMGBSA method is able to do this with the residue decomposition
method. You might have a look on tutorial A3. Moreover, you will find
scripts examples in:
% cd $AMBERHOME/src/mm_pbsa/Examples
% see number 5 and 6
Hope this will help you
Regards
Florent Barbault
On Wed, 7 Apr 2010 14:44:04 -0400
Ganesh Kamath <gkamath9173.gmail.com> wrote:
> Hi Amber community,
>
> I have a solvated protein and wish to calculate the electrostatic
>and
> vanderwall energy contributions of a particular residue
> from the trajectory file. Could anyone please suggest me a way.
>
> thanks for all the help.
>
> regards,
> ganesh
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
-------------------------------------------------
Dr Florent Barbault
Maitre de conferences / Assistant professor
Universite Paris Diderot
Laboratoire ITODYS
15 rue Jean de Baïf, bâtiment Lavoisier
75013 Paris FRANCE
http://www.itodys.univ-paris7.fr/
tel : (33) 01-57-27-88-50
e-mail : florent.barbault.univ-paris-diderot.fr
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Received on Wed Apr 07 2010 - 12:30:04 PDT
