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Hello Hongyan-- > Thanks for your advice. I don't know how to vary Cd-S distances and > angles when generating PSF file. Any suggestions? Try lowering the force constant for the relevant bonds and angles. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFGJOGBPK2zrJwS/lYRAtucAJ43PPQ/IvG+hPp230NZ05bWHVQBdACeLDtq zbxDiOTiDr8C1A+F2Twe/AE= =CWrj -----END PGP SIGNATURE-----
