From: Luis Rosales (ludwig_at_correo.biomedicas.unam.mx)
Date: Fri Apr 29 2005 - 18:26:06 CDT
Hi Yong!!!!!
Well, you have done the most difficult part, so what its left to you is to
type or write a script that combines both files, like this:
-------------------------
package requires psfgen
readpsf file1.psf
readpsf file2.psf
coordpdb file1.pdb
coordpdb file2.pdb
writepsf whatever.psf
writepdb whatever.pdb
quit
-------------------------
and Voila!
now you can quit working and enjoy the weekend!! :)
Cheers,
Ludwig
-- Open WebMail Project (http://openwebmail.org) ---------- Original Message ----------- From: "Gan, Yong \(UMC-Student\)" <yg8p2_at_mizzou.edu> To: <namd-l_at_ks.uiuc.edu> Sent: Fri, 29 Apr 2005 16:04:23 -0500 Subject: namd-l: Combine pdb and psf files > Hello, > > Now, I have separate pdb and psf files for a carbon nanotube and a > membrane (i.e. nanotube.pdb, nanotube.psf, membrane.psf and > membrane.pdb). > > I want to combine these two structures together, that is to use one > pdb file and one psf file to discribe both carbon tube and membrane > (i.e. nanotube_membrane.psf and nanotube_membrane.pdb). What should > I do? > > Thanks a lot!!! > > Yong ------- End of Original Message -------
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