Hi everybody,
We are pleased to announce the availability of APBS/Amber module,
implemented via iAPBS interface version 0.2.0.
APBS (
http://apbs.sourceforge.net) is a scalable, state of the art
Poisson-Boltzmann solver for continuum electrostatics with many features.
The APBS/Amber module allows access to most of the APBS functionality from
within sander.
Among currently implemented features are: implicit solvent minimization,
dynamics, single step calculation of solvation energies and writing out
calculated electrostatic properties for visualization using third party
applications (VMD, Pymol, PMV, OpenDX, etc.).
The current iAPBS code and documentation which includes detailed
installation instructions and examples are available at
http://mccammon.ucsd.edu/iapbs.
This effort is sponsored by the National Biomedical Computation Resource
at University of California, San Diego (
http://www.nbcr/net). Questions or
comments may be directed to Robert Konecny <rok.ucsd.edu>.
Thank you.
Robert
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Received on Sun Jun 25 2006 - 06:07:16 PDT
