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Hello Tian-- > > > > I want to do a structure calculation on a cyclic peptide. Does anyone has the > information for the psf file generation and how to do it? > You can find an example of this in eginput/PSF_generation/genCircPep.py in the Xplor-NIH distribution. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkt6kVQACgkQPK2zrJwS/laYGgCbBVD5JcLy6O4Nr+fxJvYYFaX/ 2PMAnRhB9cTURYYOktVXnjbDW+ezLLik =PKFT -----END PGP SIGNATURE-----
