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- Wed Oct 16, 2019 1:55 pm
- Forum: OpenMM Zephyr
- Topic: Protein-ligand complex MD simulation
- Replies: 0
- Views: 89
Protein-ligand complex MD simulation
I am trying to run md simulation of protein-ligand (small molecule) complex but work repeatedly failed. As I can't add topology files to the pdb format of protein ligand format. Is it possible to run such kind of simulation in openmm zephyr????? As openmm zephyr only follows PDB input file. PLZ HELP...