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Hello Andrew-- > The errors are as such: > > %READC-ERR: atom 135 ARG 1HH1 not found in molecular structure > %READC-ERR: atom 135 ARG 2HH1 not found in molecular structure > %READC-ERR: atom 135 ARG 1HH2 not found in molecular structure > %READC-ERR: atom 135 ARG 2HH2 not found in molecular structure > %READC-ERR: atom 136 VAL H not found in molecular structure > %READC-ERR: atom 136 VAL 1HG1 not found in molecular structure > %READC-ERR: atom 136 VAL 2HG1 not found in molecular structure > > I see now - the atom names of the hydrogens from the PDB file > do not match those from the PSF. I added the hydrogens to my > structure with the WHATIF server. > So that fixes the problem? Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkybbdIACgkQPK2zrJwS/lbQyACfQv2Ab75gtzogwG6q8HszFVHl tS4AnRzIa61YO7YtlKnG84wSfLtYU2fa =aRiI -----END PGP SIGNATURE-----
