[gmx-users] Integration with SOFA

jdnnkoko jdnnkoko at gmail.com
Mon Oct 22 18:07:32 CEST 2012

Hi everyone, 

I am very new to all of this and I have a few questions in regards to a
research project I am working on with a professor of mine. First of all, let
me describe the goal of the project. We are trying to develop support
classes for molecular modeling and simulation on SOFA, based on its
architecture that features separate visual, behavior, and collision models,
as well as a mapping between these models. Essentially, we would like to,
eventually, be able to simulate chemical reactions in real time
accentuating, in terms of detailed modeling, the reaction sites. My question
is, how will GROMACS interact with SOFA for interactive simulation and what
is the simplest molecule that GROMACS will support? We want to begin with
"baby steps", such as water or another relatively simple molecule. 

I'm not sure if any of you followed this. If not, please do ask questions
and I will do my best to answer them. Any help you can give would be much


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