CCL:G: polch_2.1



 Sent to CCL by: "Siegfried  Hoefinger" [shoefing##mtu.edu]
 Dear all,
 POLCH 2.1 has become available via
 -->   http://mammoth3.gup.uni-linz.ac.at/~polch
 POLCH is an implicit solvation program for proteins
 ( residues < 500). It is based on the Poisson-Boltzmann
 approach and has the following characteristics,
 a) all expensive parts of the calculation are carried out
    on the specialized computer chip MD-GRAPE-2
 b) consideration of electrostatic as well as non-polar
    contributions
 c) PCM-like decomposition into properly separated individual
    contributions
 d) usage of Gaussian cube format for ESP maps (electrostatic
    potentials) for straightforward visualization with VMD
    or MOLDEN
 e) support of several solvents, ie water, ethanol, n-octanol
 It is still all very much in a premature stage and therefore
 any comments/suggestions/experiences are greatly appreciated.
 best
 sig
 --
 Siegfried Hoefinger, PhD
 Michigan Technological University
 Department of Physics
 836 Dow Building
 1400 Townsend Drive
 Houghton, Michigan, 49931 - 1295, USA