-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Hongyan-- > When I lowered the force constants for the metal-cluster relevent bonds and > angles, there wrill be more violations upon generating PSF files. I think > perhaps that it is better to incoporate metal-cluster constraints via H-bond > as > I did in Cyana. We have got all the constraint files for metal cluster but > don't know how to do it in xplor-NIH. Could you please do me a favor? You could use NOE distance restraints. If you do this, remove the appropriate bonds (and angles) from the topology presidue statement. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFGJhxBPK2zrJwS/lYRAqbeAJ96YP8wRAo4rmTcClLKS5XrSXmMGACfa+KT Ddgj1yDzQxru2Mi3wzMXtJk= =vMKy -----END PGP SIGNATURE-----
