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640. SIMLYS 2.0: Analysis of Simulation Results
by P. Krueger and A. Szameit, Institut fuer Biochemie,
Rheinisch-Westfaelische Technische Hochschule Aachen,
D-5100 Aachen, Germany
The SIMLYS package has been designed to analyze the
results of molecular dynamics, Monte Carlo and
stochastic dynamics simulations. It is arranged in a
modular fashion to easily permit the addition of new
functions.
The analysis program itself consists of a kernel with a
command interpreter, the data management modules and a
number of pool routines performing the analysis.
Each function of SIMLYS is called by a command with
several parameters to provide the subroutines with the
necessary information. To perform a given analysis,
several commands may have to be given in combination.
This system contains very broad functionality and is
extremely well documented.It has also been
successfully brought up under various environments.
QCPE is essentially distributing the VAX version, and
it will be distributed in VAX VMS COPY format only.
Lines of Code: 50,681
FORTRAN 77 (VAX)
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