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Original file line number Diff line number Diff line change 1- Empty box
1+ Cubic box
220
33 3.50000 3.50000 3.50000
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Original file line number Diff line number Diff line change 22; File 'min.mdp' was generated
33; By user: simon (1000)
44; On host: laptop
5- ; At date: Fri Apr 11 21:29:43 2025
5+ ; At date: Fri Apr 11 22:17:56 2025
66;
77; Created by:
88; :-) GROMACS - gmx grompp, 2025.1 (-:
@@ -175,7 +175,7 @@ annealing-temp =
175175; GENERATE VELOCITIES FOR STARTUP RUN
176176gen-vel = no
177177gen-temp = 300
178- gen-seed = 520077181
178+ gen-seed = -847251587
179179
180180; OPTIONS FOR BONDS
181181constraints = none
Load Diff Large diffs are not rendered by default.
Original file line number Diff line number Diff line change 22; File 'npt.mdp' was generated
33; By user: simon (1000)
44; On host: laptop
5- ; At date: Fri Apr 11 21:29:59 2025
5+ ; At date: Fri Apr 11 22:18:45 2025
66;
77; Created by:
88; :-) GROMACS - gmx grompp, 2025.1 (-:
@@ -175,7 +175,7 @@ annealing-temp =
175175; GENERATE VELOCITIES FOR STARTUP RUN
176176gen-vel = no
177177gen-temp = 300
178- gen-seed = -1949471130
178+ gen-seed = -470952004
179179
180180; OPTIONS FOR BONDS
181181constraints = hbonds
Load Diff Large diffs are not rendered by default.
Original file line number Diff line number Diff line change 22; File 'nvt.mdp' was generated
33; By user: simon (1000)
44; On host: laptop
5- ; At date: Fri Apr 11 21:29:43 2025
5+ ; At date: Fri Apr 11 22:18:00 2025
66;
77; Created by:
88; :-) GROMACS - gmx grompp, 2025.1 (-:
@@ -175,7 +175,7 @@ annealing-temp =
175175; GENERATE VELOCITIES FOR STARTUP RUN
176176gen-vel = yes
177177gen-temp = 360
178- gen-seed = -144445826
178+ gen-seed = -218254689
179179
180180; OPTIONS FOR BONDS
181181constraints = hbonds
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