surfaces and volumes

Michel PETITJEAN ptitjean at ccr.jussieu.fr
Wed Jan 20 09:22:03 EST 1999


Subject: surfaces and volumes

The programme for calculation of van der Waals surfaces and volumes
(J.Comput.Chem.1994,15[5],507-523) is available as a binary file
on various computers: IBM RS6000 serie (and SP2), CRAY Y and J90,
DEC-alpha (VMS and unix), SGI O2 (and some others).
It performs both analytical and Monte-Carlo calculations.
Free copies will be sent to interested people.
( and the Monte-Carlo fortran subroutines too).
Do not forget to tell me on what computer you wish to get it.

Michel Petitjean,                     Email: petitjean at itodys.jussieu.fr
ITODYS (CNRS, ESA 7086)                      ptitjean at ccr.jussieu.fr



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