Omololu Akin-Ojo wrote:
Hi,
With the GROMOS96 force field, how do I know what atom types I need to
include in my input
files [e.g., for Carbon(sp3) interacting with another Carbon(sp2), which
of the parameters for Carbon should I use?]. Is there some quickly
accessible article/document containing this information?
All atom types are available to you when you #include the appropriate force
field. See the .atp file for atom types. The only other listing of the atom
types and parameters will be the primary literature for the force field you're
trying to use.
-Justin
Thanks in advance for any information.
o.
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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