@@ -539,8 +539,8 @@ Energy minimization
539539
540540.. container :: justify
541541
542- The system is now in a favorable state and the molecular dynamics simulation
543- can be started.
542+ Thank to the energy minimization, the system is now in a favorable state
543+ and the molecular dynamics simulation can be started safely .
544544
545545Minimalist NVT input file
546546=========================
@@ -1045,7 +1045,7 @@ Radial distribution function
10451045
10461046 The radial distribution functions highlight the typical distance between
10471047 the different species of the fluid. For instance, it can be seen that
1048- there is a hydration layer of water around sodium ions at a typical
1048+ there is a strong hydration layer of water around sodium ions at a typical
10491049 distance of :math: `2.4 ~ \text {Å}` from the center of the sodium ion.
10501050
10511051Mean square displacement
@@ -1112,17 +1112,20 @@ Mean square displacement
11121112
11131113.. include :: ../../non-tutorials/accessfile.rst
11141114
1115- ..
1116- Going further with exercises
1117- ============================
11181115
1119- Cage effect
1120- -----------
1116+ Going further with exercises
1117+ ============================
1118+
1119+ .. container :: justify
11211120
1122- .. container :: justify
1121+ The solutions can be found in the GitHub repository of GROMACS tutorials.
11231122
1124- The *cage effect * describes the dynamical confinement of a molecule
1125- or an atom by its neighors. Modify *production.mdp * and probe the *cage effect *
1126- for the sodium ions. Probe also the short-time ballistic regime.
1123+ Calculate the structure factor
1124+ ------------------------------
1125+
1126+ .. container :: justify
11271127
1128- Cannot be done right now, because gmx msd does not like dt < 1 ps
1128+ Use the *gmx saxs * command and extract its structure factor, or :math: `S(q)`.
1129+ The structure factor is a fundamental quantity that it commonly measured
1130+ experimentally through Small Angle X-ray Scattering (SAXS) or Small-Angle
1131+ Neutron Scattering (SANS) :cite: `hansen2013theory, sedlmeier2011spatial `.
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