SIMLYS version 2.0

Published: 01-01-1992| Version 1 | DOI: 10.17632/jwh5xwgpv7.1
Contributors:
Peter Krüger,
Angelika Szameit

Description

Abstract SIMLYS is a tool to analyze the results of molecular simulations. It provides functions to investigate the coordinates and in addition it helps to generate and integrate new analysis functions. The version 2.0 of the program contains a number of new modules, as for instance the calculation of accessible surface area, nearest neighbours and correlation functions. The facility to generate a new analysis subroutine was extended and it was made possible to integrate the new module into the presen... Title of program: SIMLYS 2.0 Catalogue Id: ABZD_v2_0 [ACJQ] Nature of problem Simulation techniques are used to generate coordinates. These coordinates can be the result of a molecular dynamics or Monte Carlo simulation or a distance geometry calculation. They are the basis for current trajectory analysis. Versions of this program held in the CPC repository in Mendeley Data ABZD_v1_0; SIMLYS; 10.1016/0010-4655(91)90108-W ABZD_v2_0; SIMLYS 2.0; 10.1016/0010-4655(92)90153-P This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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