[gmx-developers] Andersen Barostat

[Stefan Zasada]

Dear GROMACS developers,

We are involved in a project aiming where we need to employ an  
Anderson barostat and to use the Bennett Acceptance Ratio method to  
compute free energies using GROMACS. From the GROMACS wiki and mailing  
list it appears that you have put work into some areas related to  
these areas and have already written some of the code that would be  
useful to us. Would it be possible for you to give us access to the  
code if it is in in a usable state? We would be willing to contribute  
to the development and testing if it were.

Thanks,



Stefan.

--
Stefan Zasada <stefan.zasada at ucl.ac.uk>
Centre for Computational Science
Chemistry Department, University College London,
20 Gordon Street, London, WC1H 0AJ, UK.
Tel: +44 (0)20 7679 5300