Hi, Abdennour
If you have the newest AMBER16 version, you can use the NFE SMD module to
implement multiple CVs in SMD run, both in CPU & GPU
basically you will define the parameters in namelist &smd, and the CVs in
an separate file within namelist &colvar,
you can check the details here: http://ambermd.org/doc12/nfe.pdf
Feng Pan
On Mon, Oct 10, 2016 at 3:46 AM, abdennour braka <
abdennour.braka.univ-orleans.fr> wrote:
> Hi All,
> is it possible to use tow or more CV (for example dist+angle1+angle2) in
> the current steered MD implementation?
> Thanks
> A. BRAKA
> --
> Abdennour BRAKA
> /PhD Student
> Structural Bioinformatics & Chemoinformatics
> Institut de Chimie Organique et Analytique (ICOA)
> UMR CNRS-Université d'Orléans 7311
> Université d'Orléans
> Rue de Chartres
> F-45067 Orléans
> phone: +33 238 494 577/
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>
--
Feng Pan
Ph.D. Candidate
North Carolina State University
Department of Physics
Email: fpan3.ncsu.edu
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Received on Mon Oct 10 2016 - 14:00:02 PDT
