Protein-ligand complex MD simulation
- Ranabir Majumder
- Posts: 1
- Joined: Mon Sep 30, 2019 11:34 am
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 me.....!!!!!!!!!!!!!