Hello again,
Following up on my question earlier today, is it possible to do
any sensible RMS fits when the systems involved contain a
different number of atoms ?
Apart from the per-residue analysis - will CARNAL choose the
"same" atoms for a regular RMS fit if the atom numbering scheme
is not exactly the same ? Or will it choose atoms that have the
same atom number ?
Is the only recourse to strip the prmtop and mdcrd files of all
references to the differing residues ?
Any ideas would be appreciated.
Thanks
Samantha
--
Time's fun when you're having flies.
-Kermit the Frog (Jim Henson)
Received on Tue Oct 26 1999 - 06:26:31 PDT
