From: JC Gumbart (
Date: Sat Mar 24 2018 - 08:56:35 CDT

I think I know what you mean, but can you provide me off-list with the files to reproduce a specific example?


> On Mar 23, 2018, at 8:38 PM, Bryan Roessler <> wrote:
> Would it be possible for fftk to recognize wildcard atom types in the CHARMM FF's? I'm currently getting duplicitous missing parameters. It's not normally a huge deal but at this stage I am trying to integrate several "divide-and-conquer" parameterizations and thus it gets very confusing trying to figure out which terms are left to calculate.
> Cheers,
> Bryan
> Bryan Roessler | Researcher
> UAB | The University of Alabama at Birmingham
> <>
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