Automate QwikMD set up for a large number of NAMD jobs?

From: Danny Xu (
Date: Tue Dec 20 2016 - 15:24:36 CST

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?

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