Jinyao Wang wrote:
Hi,
I want to carry out acetaldehyde simulation with OPLS-AA. However, I am not
able to write the acetaldehyde topology files. If someone could sent me some
materials aboult OPLS-AA for acetaldehyde, I would very appreciate it.
So why are you unable to write the topology? Chapter 5 of the manual explains
how to do it, and for a molecule like acetaldehyde it should be quite
straightforward.
-Justin
致
礼！
Jinyao Wang
[EMAIL PROTECTED]
2008-10-23
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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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