Re: Charmm

From: Kenno Vanommeslaeghe (
Date: Thu Feb 20 2014 - 12:53:55 CST

On 02/20/2014 01:10 PM, Gianluca Interlandi wrote:
> I usually use the CHARMM program itself to generate a CHARMM PSF file. I'm
> not sure whether the CHARMM program can read PSF in XPLOR (in can write).

The (undocumented) ability to read XPLOR psf files was quietly slipped
into the CHARMM source code from version c36b1 onwards. For users of older
CHARMM versions, I have a script to convert and XPLOR psf to CHARMM.

However, I asked my last question specifically because it sounds like
Peter wants to convert an Xplor TOPOLOGY AND/OR PARAMETER file, NOT a psf

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