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PolySim

Polymer simulation utilites

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Description

Polymer simulation utilites for bead coarse-grained models of polymers. Includes
1) lattice monte carlo. Many kinds of lattices are supported. It shouldn't be a problem to implement any new specific one (discrete models)
2) off-lattice monte carlo and molecular dynamics (continuous models)
Latter one is rebuild of earlier version of
simpatico (http://gemini.cems.umn.edu/research/morse/code/simpatico/home.php)
project.
Input and output are based on PDB file format
which is better to visualize with pymol.
For specific non-pdb input/output of 2nd program there are convertation utils also available.
Programs are expected to compile in gcc under cygwin or pure linux environment.

Scripts to run many copies of program under pbs/torque cluster system are also available.

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  • 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    Polysim works great.

    Posted 05/27/2013
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Additional Project Details

Intended Audience

Science/Research

User Interface

Command-line, Console/Terminal

Programming Language

C, C++, Unix Shell

Registered

2012-06-12

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