Dear All,
I would like to simulate a peptide with diselenium bonds. I would be
reluctant to use sulphur instead, because, unlike Se-methionines used in X-ray studies, 4 diselenium bonds in an oligopeptide should result in a different enough structure and dynamics compared to the disulphide
analogue to justify using a Se atom type. However, I did not seem to
find Se in the AMBER14 force fields. Although Se has been discussed
several occasions on the AMBER list, I also did not find specific
parameters to make a new Se atom type. If anyone have experience with Se, I would very much appreciate any
help.
Thanks,
Krisztina
p.s. Sorry if this mail has appeared twice, I was not sure if the first was sent to the list.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 19 2014 - 12:00:02 PDT
