[MMTK] PSF file generation anyone?

Eugene Leitl eugene.leitl@lrz.uni-muenchen.de
Mon, 19 Jul 1999 10:44:06 -0700 (PDT)


Lutz.Ehrlich@EMBL-Heidelberg.de writes:

 > has anybody written some code to generate PSF files from MMTK universe 
 > objects using a CHARMM topology file? I'm using PSF files generated by 
 > XPLOR right now, but this might become unwieldy as soon as I have to
 > add/delete certain atoms from one simulation to the next...

While I cannot offer any code I'd also be interested in that
functionality. Perhaps the information on 

	http://www.google.com/search?q=cache:56585436&dq=cache:mycroft.mmid.ualberta.ca:8080/us-to-you/tips/topology/main.html

can be of any help in the implementation of it.

Regards,

Eugene Leitl