Dear All,
I have a general question on heating the system prior to a production run.
I have a small RNA structure, which is an 8-mer (duplex). When I do an
explicit solvent simulation on this system, without heating the system
(temp is always set to 300 K), I do not see any errors. People do heat
their system prior to a production run; and I am curious if 'heating'
is expected (or not expected) to be an issue on a system like this big.
Normally, I would not expect any problem on any system if the simulation
is run enough. I would like to know if there is any article/journal
written on this issue; the importance of 'heating' the system prior to a
production run. Thanks in advance.
Best,
--
Ilyas Yildirim
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- Department of Chemisty - -
- University of Rochester - -
- Hutchison Hall, # B10 - -
- Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
- http://www.pas.rochester.edu/~yildirim/ -
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Received on Sun Feb 11 2007 - 06:07:37 PST
