AMBER Archive (2009)

Subject: [AMBER] (no subject)

From: Lake, Thomas (thomas.lake08_at_imperial.ac.uk)
Date: Fri Jan 16 2009 - 11:38:09 CST


Hello,

I am trying to model a cyclic peptide, so I loaded the pdb into LEAP. I
then created a bond between the two terminal residues, and then altered
the partial charges and the atom types of these residues. In LEAP this
seemed to work fine; I then created topology and coordinate files using
saveamberparm. However when I loaded these into VMD, the bonds where
the termini were linked are now massively distorted. In the LEAP editor
there doesn't seem to be this problem. Can anyone help me.

Thanks

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