Hi Amber users,
for a somewhat obscure project, I came across the need to obtain vdW
parameters for
a) Silicon (specifically Si(IV) as in SiO2)
and
b) Arsenic (specifically in oxidation state V).
Neither is much used in Ambers biomolecular application field, even though
I found some silicon-related parameters in gaff.dat.
If anyone of you has experience using these elements in Amber, can you
provide me with parameters, references or general reminders why this is
not a good idea to try?
Any answers highly appreciated,
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
formerly of
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Tue Dec 07 2010 - 00:00:02 PST
