VMD-L Mailing List

From: Achar, Sid (SKA31_at_pitt.edu)
Date: Mon Mar 09 2020 - 11:15:14 CDT

Dear VMD users,

I am working on a Metal Organic framework (MOF) to find the accessible channels for ligand transport. Would I be able to perform steered MD for such systems/ If yes, Is there a method that is different from that of proteins (in the example given by VMD) or is there another tool to work with? I just have the .xyz file along with the unit cell dimensions of the MOF. Please could you help me out.

Best
Sid