Updated demos #2
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Pull Request Overview
This PR updates demonstration files for the imd-workshop-2025, specifically refreshing examples for NAMD and GROMACS molecular dynamics simulations. The changes appear to focus on adding placeholder structure for the GROMACS velocity autocorrelation function (VACF) demo.
Key Changes
- Added a placeholder file to establish the directory structure for GROMACS VACF demonstrations
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… run the NAMD simulation, but NAMD needs to be built to execute the command
… run the NAMD simulation, but NAMD needs to be built to execute the command
…the code with smaller system (test-start.gro, test-topol.top)
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Demos for NAMD and GROMACS updated for imd-workshop-2025