dynamics - bulk water
jadefox337
jadef... at gmail.com
Tue Apr 19 21:36:15 UTC 2011
Hello,
I am preparing to setup input for dynamics of solute in water, where
water is treated explicitly (no dialectric const). I am interested in
extracting the IR spectrum from the run. I have never run with
PERIODIC boundary conditions. Does anyone have a sample input for such
a run ? Is there a tutorial anywhere for how to set up such a run ?
Thanks much,
Madeleine
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