Re: Charmm

From: Gianluca Interlandi (
Date: Thu Feb 20 2014 - 12:10:22 CST

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).
If not you might have to generate the CHARMM PSF from the PDB file. Again, might be of help for that.


On Thu, 20 Feb 2014, Kenno Vanommeslaeghe wrote:

> I likely don't know the answer to this, but just to clarify the question, you
> are talking about an Xplor topology and/or parameter (not psf) file you want
> to convert to a CHARMM topology and/or parameter file, right?
> On 02/20/2014 03:31 AM, Peter Reinke wrote:
>> Dear all,
>> I would like to convert the non-bonded parameters from Xplor to Charmm
>> format. Can anyone help me how to do that?
>> Thanks in advance,
>> Peter

Gianluca Interlandi, PhD
                     +1 (206) 685 4435

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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