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--- exercises:2020_uzh_acpc2:ex02 [2020/05/04 10:24] – jglan
+++ exercises:2020_uzh_acpc2:ex02 [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 6: / Line 6: @@
 We have prepared a CP2K input file ''water.inp'' for running a MD simulation of liquid water using the force field from the first exercise (parametrized by [[https://aip.scitation.org/doi/pdf/10.1063/1.1884609|Praprotnik et al.]]).
 <note important>Download {{ :exercises:2019_uzh_acpc2:water.zip |water.zip}} and extract it.</note>
-Repeat the MD using initial temperatures 200 and 400 K. In order not to overwrite any of your previous files, it is advisable to run the new simulations in different folders.
 <note>**TASK 1**
@@ Line 39: / Line 37: @@
 \begin{equation}
-A(\omega)\propto{\int\langle{\mu}({\tau}){\mu}(t+{\tau})\rangle_{\tau}e^{-i{\omega}t}d{t}},
+A(\omega)\propto{\int\langle{\dot{\mu}}({\tau}){\dot{\mu}}(t+{\tau})\rangle_{\tau}e^{-i{\omega}t}d{t}},
 \label{eq:auto}
 \end{equation}