Dear amber community,
I am acetylating a lysine in my PDB using xLeap by adding an "ACE." When I
finish editing the file and execute "saveamberparm," xLeap creates the
.prmtop and .inpcrd files but provides the following message:
Building Topology
.
. #normal messages
.
Building H-Bond parameters
Not Marking per-residue atom chain types.
Marking per-residue atom chain types.
(Residues lacking connect0/connect1 -
these don't have chain types marked:
res total affected
ACE 1
CGLN 1
NSER 1
)
(no restraints).
It looks to me like amber doesn't like something about the residues at the
2 termini (SER and GLN) and the acetyl group that I have added, ACE.
Will this have an effect on dynamics? Or is this a message I can safely
ignore?
Thank you,
David Winogradoff
~~~~~~~~~~~~~~~~~~~~~~~~
Research Assistant
Chemical Physics
University of Maryland
College Park
~~~~~~~~~~~~~~~~~~~~~~~~
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Received on Mon Feb 10 2014 - 15:00:03 PST
