RE: creating Charmm psf from Xplor format

From: EPF (Esben Peter Friis) (epf_at_novozymes.com)
Date: Wed Feb 04 2004 - 07:40:50 CST

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Wan,

I have a script that can do the opposite, i.e. convert a Charmm .psf
file into something NAMD can use (which I guess is X-plor?). I can send
it to you if you like, it should be relatively easy to "turn it around".

Best regards

Esben

> -----Original Message-----
> From: owner-namd-l_at_ks.uiuc.edu
> [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Shunzhou Wan
> Sent: 4. februar 2004 13:33
> To: namd-l_at_ks.uiuc.edu
> Subject: namd-l: creating Charmm psf from Xplor format
>
>
> I would like to convert an Xplor .psf file into Charmm
> format. Anyone have a script/method that can do that?
>
> Thanks in advance,
> Wan
>
>

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