-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Lixin-- > We have trouble adding C-terminal CH2OH group on the last residue Thr. > We made a presidue CTOH as following. However it didn't work, we had > error msgs such as missing improper parameters, improper energy constant > missing, target improper value missing. What did we miss in this > topology file? or do we have another way to get the c terminal capped > on? You changed the type of the C atom, so so need to specify a new improper parameter: param improper HA NH1 CT CT $kchi 0 65.977 ! CA chirality end ok? Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHbCzOPK2zrJwS/lYRAljJAJ92HSrXUPxQQ4OE7vuXRGYD2iJKUwCfV/vm lPOtcFAKs8J6aOVqt/XJzc4= =5Jdm -----END PGP SIGNATURE-----
