Re: [AMBER] problem with chamber & vmd generated psf (line 2349 of file psfprm.F90)

From: Jason Swails <>
Date: Wed, 6 Aug 2014 12:18:46 -0400

On Aug 6, 2014, at 12:06 PM, Marc van der Kamp <> wrote:

> Dear Robin & Jason,
> Getting the test psf's in XPLOR format to pass chamber conversion was
> indeed as simple as using -xpsf instead of -psf to pass the psf file.
> Apologies for not noting that.
> I could not pass my original system (with XPLOR format), however; I think
> this may have to do with the 5+ character atom type names from CGenFF, but
> haven't had the opportunity to test this yet.
> I will try Sarah's solution when I get the chance - thanks, Sarah.

Does ParmEd handle the 5+ character atom types from CGenFF? (keep in mind that the -cmap flag should be deleted from chamber).


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Wed Aug 06 2014 - 09:30:05 PDT
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