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.

Project Activity

See All Activity >

License

Simple Public License 2.0

Follow PolySim

PolySim Web Site

You Might Also Like
Integrate in minutes with our email API and trust your emails reach the inbox | SendGrid Icon
Integrate in minutes with our email API and trust your emails reach the inbox | SendGrid

Leverage the email service that customer-first brands trust for reliable inbox delivery at scale.

Email is the backbone of your customer engagement. The Twilio SendGrid Email API is the email service trusted by developers and marketers for time-savings, scalability, and delivery expertise. Our flexible Email API and proprietary Mail Transfer Agent (MTA), intuitive console, powerful features, and email experts make it easy to ensure all your email gets delivered in seconds and without interruption.
Rate This Project
Login To Rate This Project

User Ratings

★★★★★
★★★★
★★★
★★
1
0
0
0
0
ease 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5
features 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5
design 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5
support 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5

User Reviews

There are no 1 star reviews.

Additional Project Details

Operating Systems

Cygwin, Linux, BSD

Intended Audience

Science/Research

User Interface

Console/Terminal, Command-line

Programming Language

Unix Shell, C++, C

Related Categories

Unix Shell Molecular Science Software, C++ Molecular Science Software, C Molecular Science Software

Registered

2012-06-12