Differences

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--- exercises:2019_conexs_newcastle:ex4 [2019/09/11 13:12] – [Part 2: MD of liquid water] abussy
+++ exercises:2019_conexs_newcastle:ex4 [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 405: / Line 405: @@
 &END MOTION
 </code>
-The parameters in the MD section has been selected to finish in a few minut, but feel free to experiment with different values. To not print too much, also modify the &PDOS section to
+The parameters in the MD section has been selected to finish in a few minutes, but feel free to experiment with different values and get a feel for how they work. To not print too much, also modify the &PDOS section to
 <code>
 &PDOS
@@ Line 415: / Line 415: @@
 &END PDOS
 </code>
-which means that we only print the PDOS every third step, as well as appending the specta instead of overwriting them.
+which means that we only print the PDOS every third step, as well as appending the spectra instead of overwriting them.
 When you have finished the calculation, you should have created some new files, including
@@ Line 429: / Line 429: @@
 # Parameters
-FWHM = 0.3   # Full width half maximum
+FWHM = 0.4   # Full width half maximum
 Emin=-16.    # Starting energy
 Emax= 4.     # -----