Dear all,
Can you please help me to construct CHO rebo potential file, or may be send me one if possible.
Thanks all.
Regards,
Anagh
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Ray
Dear all,
Can you please help me to construct CHO rebo potential file, or may be send me one if possible.
force field parameterization is a complex and often tedious process.
it requires a *lot* of general MD experience and guidance from a
person with lots of experience in force field parameterization. it
thus cannot be taught via e-mail.
if a specific set of parameters exists, can be best determined through
a careful search of the published literature.