From: Mike McCallum (mmccallum_at_pacific.edu)
Date: Tue Apr 13 2004 - 09:08:04 CDT
Use psfgen (either in VMD, or standalone). Read in the psf (psfgen
uses XPLOR "natively"), pdb. Re-associate the segment(s), pdb and psf,
and then write out the charmm psf:
writepsf charmm xxx.psf
On Apr 13, 2004, at 05:15, Eric Hajjar wrote:
> Hello everyone !
> I'm encountering problems because I'm using an Xplor psf file into
> 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
> Any advices on how to deal with that are more than welcome !
> Thanks in advance
> Eric Hajjar
-- C. Michael McCallum http://chem.cop.uop.edu/cmmccallum.html Associate Professor Department of Chemistry, UOP mmccallum .at. pacific .dot. edu (209) 946-2636 v / (209) 946-2607 fax
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