On 5/13/13 6:24 PM, Marcelo Vanean wrote:
Hello to all. I am simulating long-chain alcohols. For the dihedrals, I
used Rycaert-Bellemans function. In this case I should delete the pairs
from topology?
That depends on which force field you are using. See manual section 4.2.12.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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