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一个有用的分子动力学小辅助程序

Disclaimer. This on-line distribution of algorithms is not an official
service of the Association for Computing Machinery (ACM).  This service
is being provided on a trial basis and may be discontinued in the
future.  ACM is not responsible for any transmission errors in
algorithms received by on-line distribution.

Columns 73-80 have been deleted and trailing blanks removed.  Standard
machine constant and error handling routines have sometimes been
removed from the individual algorithms and collected into the libraries
"core" and "slatec".  We have tried to incorporate published Remarks;
if we missed something, please contact Eric Grosse,
[e-mail].

The material in this library is copyrighted by the ACM, which grants
general permission to distribute provided the copies are not made for
direct commercial advantage.  For details of the copyright and
dissemination agreement, consult the current issue of TOMS.