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gitesei · Dec 13, 2023 · 0386c08 · 0386c08
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commit 0386c08
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diff --git a/analyses.ipynb b/analyses.ipynb
diff --git a/data/lnp_empty_298/snapshot.vmd b/data/lnp_empty_298/snapshot.vmd
diff --git a/data/lnp_empty_310/lnps.ipynb b/data/lnp_empty_310/lnps.ipynb
@@ -476,6 +476,7 @@
    "source": [
     "%cd $workdir\n",
     "faunus_path = '../../faunus'\n",
+    "dirname = 'CPP{:.2f}_{:.2f}_{:.1f}'\n",
     "Nnuc = 72\n",
     "zcoords = np.repeat(np.linspace(0, 28*np.pi, Nnuc),2)\n",
     "L = zcoords.max(); V = 320000; R = np.sqrt( V / L / 2 / np.sqrt(3) )\n",

diff --git a/data/lnp_empty_310/ruler.tcl b/data/lnp_empty_310/ruler.tcl
diff --git a/data/lnp_w_rna_310/lnps.ipynb b/data/lnp_w_rna_310/lnps.ipynb
@@ -757,7 +757,6 @@
     "    - savestate: {file: cuboid.pqr, convert_hexagon: True, nstep: 1e5}\n",
     "    - qrfile: {file: qrtraj.dat, nstep: 1e4}\n",
     "    - reactioncoordinate: {file: order.dat, nstep: 1e3, type: system, property: OrderParam, index: 2}\n",
-    "    - reactioncoordinate: {file: tau.dat, nstep: 1e3, type: molecule, property: helicity, index: 3}\n",
     "    - reactioncoordinate: {file: NNa.dat, nstep: 1e3, type: molecule, property: N, index: 0}\n",
     "    - reactioncoordinate: {file: NCl.dat, nstep: 1e3, type: molecule, property: N, index: 1}\n",
     "    - reactioncoordinate: {file: Nlipids.dat, nstep: 1e3, type: atom, property: N, index: 2}\n",
@@ -891,6 +890,7 @@
    "source": [
     "%cd $workdir\n",
     "faunus_path = '../../faunus'\n",
+    "dirname = 'CPP{:.2f}_{:.2f}_{:.1f}'\n",
     "Nnuc = 72\n",
     "zcoords = np.repeat(np.linspace(0, 28*np.pi, Nnuc),2)\n",
     "L = zcoords.max(); V = 320000; R = np.sqrt( V / L / 2 / np.sqrt(3) )\n",