Hi, Charles,
So I have generated two separate PSFs and PDBs using python scripts with
appropriate atom deletions (for the protein, where the metal will bind)
and for the metal ion, but i cannot figure out how to unite the two into
a single structure. I guess the problem is two-fold, first specifying
that the metal is part of the protein structure, but also specifying to
which atoms in the protein the metal is bound, but also specifying bond
lengths/angles/dihedrals that I used to do explicitly as part of the
xplor script in the old days.
Thanks,
Tom Pochapsky
########################################################################
To unsubscribe from the XPLOR-NIH list, click the following link:
http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
