iAPBS 1.0.0 released

From: Robert Konecny (rok_at_ucsd.edu)
Date: Wed Nov 18 2009 - 22:55:24 CST

We are pleased to announce the availability of iAPBS version 1.0.0.

APBS (http://apbs.sourceforge.net) is a scalable, state of the art
Poisson-Boltzmann solver for continuum electrostatics with many features.
The iAPBS package provides an interface to APBS and includes modules for
Amber, CHARMM and now NAMD. These modules allow access to most of the APBS
functionality from within the application.

This release features first official version of the NAMD module. When NAMD
is compiled with iAPBS and APBS the NAMD users will be able to perform
implicit solvent calculations: minimization, dynamics, single step
calculation of solvation energies (e.g. the PB component in MM-PBSA type of
calculations) 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_at_ucsd.edu>.

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