Monte Carlo Biomolecular Free Energy Simulation Program

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ProtoMS is a complete Monte Carlo biomolecular simulation program which is able to perform a series of different simulations, such as relative and absolute free energy calculations and water placement with GCMC and JAWS methodology. The latest development of ProtoMS has been focused on usability. Both set up and analysis of results has been highly automated for a set of standard simulations. Hence ProtoMS should be very easy to use.

Further information on ProtoMS can be found in the links below

To obtain the latest version of ProtoMS, we recomend you clone the Bitbucket repository using Mercurial. You can obtain further information on Mercirual here. To clone ProtoMS, you simply need to type the following command:

hg clone

If you want to ask questions or get help, then please click here.

Last updated 2014