VMD-L Mailing List

From: Danny Xu (quantum_mania_at_REMOVE_yahoo.com)
Date: Tue Dec 20 2016 - 15:23:28 CST

Hello,
I have hundreds of PDB files that I need to set up for explicit solvement MD simulations. Is there any way to automate QwikMD, process these PDB files and prepare NAMD input files in batch mode?
Thanks!-DX