On Jun 2, 2010, at 9:49 AM, Ozge Engin wrote:
Hi Chris,
The two setups were different from each other in terms of only the
number of water molecules. Even the starting
conformations for the two peptides were the same. I especially took
care about that to leave only the number of molecules as a variable.
I calculated the error by dividing the whole data to 4, and
calculated the standard deviation between the 4 sets, and divided
the result by sqrt (3).
For the Xavier's suggestion: I think I should wait a little, at
least until having the same length of trajectory for the two sets.
Here we go! You are probably not converged! How long did you simulate?
Thanks
--
Ozge Engin
★☆
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