xianghong qi wrote:
Hello,
Could anyone give me some suggestions about how to write a toplogy file
for methane with OPLS-AA force field?
Thanks in advance.
For a very simple molecule like methane, it should be very straightforward to do
from reading Chapter 5.
-Justin
-Xianghong Qi
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Justin A. Lemkul
Graduate Research Assistant
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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