Re: [AMBER] HMR with ParmEd for PSF/PDB inputs?

From: Jason Swails <>
Date: Tue, 13 Dec 2016 09:47:04 -0500

On Mon, Dec 12, 2016 at 10:50 AM, Brian Radak <>

> Excellent - I can report that all of this works as advertised. Is there a
> ParmEd script repository for such things or should I just deposit this

​ParmEd has a Wiki on GitHub, PRs for examples are welcome, and PRs for its
documentation are welcome.​

where CHARMM/NAMD users can find it?

I don't think ParmEd has much exposure in the CHARMM/NAMD sphere. If you
think this is something CHARMM and/or NAMD users would find useful, then by
all means put it somewhere that their users can more easily find it. I can
almost guarantee that putting it in the ParmEd repository somewhere won't
generate that exposure :).

All the best,

Jason M. Swails
AMBER mailing list
Received on Tue Dec 13 2016 - 07:00:03 PST
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