I will perform GPU accelerated molecular dynamics simulations using gromacs and lammps

I will help you run, troubleshoot, and analyze molecular dynamics simulations using GROMACS or LAMMPS.

Whether your simulation is failing, too slow, or you need full analysis, I can handle the complete workflow from setup to results.

What I offer:

• Simulation setup (topology, box, solvation)
• Energy minimization and equilibration
• Production MD runs (CPU/GPU accelerated)
• Fixing errors in GROMACS or LAMMPS scripts
• Performance optimization (GPU acceleration)
• Trajectory analysis including:
• RMSD
• RMSF
• PCA
• Energy plots
• Visualization and graph generation

Tools:

• GROMACS
• LAMMPS
• Python (analysis scripts)
• VMD / visualization tools

Why choose me:

• Experience with complex systems (polymers, biomolecules)
• Fast and reliable delivery
• Clear communication and updates
• Please contact me before placing an order to discuss your project.