Alessandro Mattozzi wrote:
Hi all
I am running diffusion simulation. When collecting my penetrant
trajectories, shall I use NPT or NVT dynamics? It looks like references
are divided about that...
doesn't matter as long as you make clear what and how you do it. results
will differ slightly as well.
Thank you
Regards
Alessandro Mattozzi
M.Phil., Ph.D. student
Dept. of Fibre and Polymer Technology
Royal Institute of Technology
Stockholm, Sweden
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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