Converting PSF TYPES: from XPLOr to CHARMM

From: Eric Hajjar (ericha_at_ii.uib.no)
Date: Tue Apr 13 2004 - 07:15:58 CDT

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Hello everyone !

I'm encountering problems because I'm using an Xplor psf file into
Charmm.
It will not be easy to regenerate this psf file using Charmm because of
the too large number of atoms/segments...
I wonder if someone has a script to convert psf files from Xplor to Charmm
type.
Any advices on how to deal with that are more than welcome !

Thanks in advance

Eric Hajjar
CBU_Bergen_Norway
ericha_at_ii.uib.no

Next message: Mike McCallum: "Re: Converting PSF TYPES: from XPLOr to CHARMM"
Previous message: Gengbin Zheng: "Re: Running namd on Rice Teracluster"
In reply to: himanshu chandola: "Re: Using checkpoints in simulation"
Next in thread: Mike McCallum: "Re: Converting PSF TYPES: from XPLOr to CHARMM"
Reply: Mike McCallum: "Re: Converting PSF TYPES: from XPLOr to CHARMM"
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