[gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations

[Yip Yew Mun]

Hi all,

I wish to run a MD simulation with the protein in CG and the small organic ligand in AA. Has anyone attempted this before? If so, can guide me on how to generate the right topologies for such simulations?

Thanks, any help would be greatly appreciated. =)

Yip Yew Mun (Mr) | PhD Research Scholar | Division of Chemistry & Biological Chemistry
School of Physical & Mathematical Sciences | Nanyang Technological University | Singapore 639798
Tel: (+65) 97967803 | Email: yipy0010 at e.ntu.edu.sg | GMT+8h