added updated trr,tpr,mdp

Becksteinlab · Sep 21, 2024 · 9656009 · 9656009
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commit 9656009
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diff --git a/imdclient/data/gromacs_traj.trr b/imdclient/data/gromacs_traj.trr
diff --git a/imdclient/data/gromacs_v3.mdp b/imdclient/data/gromacs_v3.mdp
@@ -46,3 +46,12 @@ pbc                     = xyz       ; 3-D PBC
 ; Velocity generation
 gen_vel                 = no
 IMD-group               = System
+IMD-nst                 = 1
+IMD-version             = 3
+IMD-time                = yes
+IMD-box                 = yes
+IMD-coords              = no
+IMD-wrap                = no
+IMD-vels                = yes
+IMD-forces              = no
+IMD-energies            = yes
diff --git a/imdclient/data/gromacs_v3.tpr b/imdclient/data/gromacs_v3.tpr