Dear Prof. Case and Aron,
Thanks for your guiding.
It is me not carefully read the section of 2.2. I am sorry.
by the way,
I am still didn't get with your comment "*None of the Amber force fields
have been calibrated or tested for such
calculations*."
Can I infer from your statement that, We can use ff10 or ff03 for my system
?
I have two simulation will be running, first, molecule in the water box and
heated at different temperature.
second, molecule inside organic box at constant temperature.
According your comment, I can use either ff10 or ff03, is it right ? I just
to make sure that my simulation was have good parameterization.
Thank you for your attention.
Setyanto
On Fri, Mar 30, 2012 at 11:27 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Fri, Mar 30, 2012, setyanto md wrote:
> >
> > I read in AmberTool 1.5 manual in the section of "specifying a force
> field".
> >
> > In section 2.2 The ff10 force field, said "*The ff10 force field
> collects a
> > variety of updates and modifications to the (generally rather successful)
> > ff99 force field*"
> >
>
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Received on Mon Apr 02 2012 - 02:00:04 PDT
