Hi,
I think you have to add a bond explicitly between both "S". See the
"bond" command in the leap manual.
Best regards
Holger
> I am sure my query is a common one among newbies, and in such a case I
> apologize for the inconvenience. I am modelling a protein with several
> disulfide bonds. The original PDB has been generated by MODELLER, so I
> renammed CYS into CYX, and suppressed the inaccurate HG.
>
> Nevertheless, any manipulation with sander, like a minimization or an
> equilibration cause my disulfide bonds to disappear, and therefore each
> sulfur to move away.
>
...
> --
> Nicolas LE NOVÈRE
> Récepteurs et Cognition, Institut Pasteur, 75724 Paris cedex, FRANCE
> e-mail : http://www-alt.pasteur.fr/~lenov
> tel : 33-(0)1-45-68-88-44 fax : 33-(0)1-45-68-88-36
--
+++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037 USA
phone: +1-858-784-9788
fax: +1-858-784-8896
email: gohlke_at_scripps.edu
+++++++++++++++++++++++++++++++++++++++++++++
Received on Mon Oct 14 2002 - 08:51:01 PDT
