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updated .gro
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8 files changed

+12977
-12977
lines changed

8 files changed

+12977
-12977
lines changed

tutorial1/conf.gro

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tutorial1/empty.gro

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tutorial1/min.gro

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tutorial1/min.mdp

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; File 'min.mdp' was generated
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; By user: simon (1000)
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; On host: laptop
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; At date: Fri Apr 11 21:29:43 2025
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; At date: Fri Apr 11 22:17:56 2025
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;
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; Created by:
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; :-) GROMACS - gmx grompp, 2025.1 (-:
@@ -175,7 +175,7 @@ annealing-temp =
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; GENERATE VELOCITIES FOR STARTUP RUN
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gen-vel = no
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gen-temp = 300
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gen-seed = 520077181
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gen-seed = -847251587
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; OPTIONS FOR BONDS
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constraints = none

tutorial1/npt.gro

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tutorial1/npt.mdp

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; File 'npt.mdp' was generated
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; By user: simon (1000)
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; On host: laptop
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; At date: Fri Apr 11 21:29:59 2025
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; At date: Fri Apr 11 22:18:45 2025
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;
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; Created by:
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; :-) GROMACS - gmx grompp, 2025.1 (-:
@@ -175,7 +175,7 @@ annealing-temp =
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; GENERATE VELOCITIES FOR STARTUP RUN
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gen-vel = no
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gen-temp = 300
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gen-seed = -1949471130
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gen-seed = -470952004
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; OPTIONS FOR BONDS
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constraints = hbonds

tutorial1/nvt.gro

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tutorial1/nvt.mdp

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; File 'nvt.mdp' was generated
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; By user: simon (1000)
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; On host: laptop
5-
; At date: Fri Apr 11 21:29:43 2025
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; At date: Fri Apr 11 22:18:00 2025
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;
77
; Created by:
88
; :-) GROMACS - gmx grompp, 2025.1 (-:
@@ -175,7 +175,7 @@ annealing-temp =
175175
; GENERATE VELOCITIES FOR STARTUP RUN
176176
gen-vel = yes
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gen-temp = 360
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gen-seed = -144445826
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gen-seed = -218254689
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180180
; OPTIONS FOR BONDS
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constraints = hbonds

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