HI,
Using xleap, after I addions and WATBOX, and when I made the parm.prmtop
and parm.inpcrd files I get the following message...
Checking Unit.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
1-4: angle 33 36 duplicates bond ('triangular' bond) or angle ('square' bond)
1-4: angle 33 34 duplicates bond ('triangular' bond) or angle ('square' bond)
1-4: angle 34 36 duplicates bond ('triangular' bond) or angle ('square' bond)
Building improper torsion parameters.
total 114 improper torsions applied
Building H-Bond parameters.
Marking per-residue atom chain types.
(Residues lacking connect0/connect1 -
these don't have chain types marked:
res total affected
WAT 4164
)
(no restraints)
I do have an epoxide ring attached to a guanine in the molecule. What
should I interpret from this message? Is there a problem reading an
epoxide ring?
Thanx
Mahadevan
Received on Tue Jul 30 2002 - 13:53:20 PDT
