From 7bd6f25ac503e518af0cfe2233e82171d14da5ba Mon Sep 17 00:00:00 2001
From: Alec <30010253+alec-glisman@users.noreply.github.com>
Date: Tue, 5 Mar 2024 21:16:15 -0800
Subject: [PATCH] all simulations in 7 with 2 slabs

---
 .../2.0_64CaCl2_104calcite_9nm_crystal_10nm_height.sh           | 2 +-
 .../3.0_16AA_104calcite_9nm_crystal_10nm_height.sh              | 2 +-
 submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh   | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/submission/input/7-vacuum-systems/2.0_64CaCl2_104calcite_9nm_crystal_10nm_height.sh b/submission/input/7-vacuum-systems/2.0_64CaCl2_104calcite_9nm_crystal_10nm_height.sh
index ce30697..93bc162 100755
--- a/submission/input/7-vacuum-systems/2.0_64CaCl2_104calcite_9nm_crystal_10nm_height.sh
+++ b/submission/input/7-vacuum-systems/2.0_64CaCl2_104calcite_9nm_crystal_10nm_height.sh
@@ -42,7 +42,7 @@ export PDB_BULK_ZMIN='4.62' # z-coordinate of bottom of bulk part of crystal in
 export PDB_BULK_ZMAX='5.09' # z-coordinate of top of bulk part of crystal in nm in PDB file
 
 # number of each component
-export N_SLAB='1'       # number of crystal slabs {1, 2}
+export N_SLAB='2'       # number of crystal slabs {1, 2}
 export N_MONOMER='0'    # number of monomers in chain {1, 2, 5, 8, 16, 32}
 export N_CHAIN='0'      # number of chains
 export N_CARBONATE='0'  # number of aqueous carbonate ions
diff --git a/submission/input/7-vacuum-systems/3.0_16AA_104calcite_9nm_crystal_10nm_height.sh b/submission/input/7-vacuum-systems/3.0_16AA_104calcite_9nm_crystal_10nm_height.sh
index ee392e6..7c1036f 100755
--- a/submission/input/7-vacuum-systems/3.0_16AA_104calcite_9nm_crystal_10nm_height.sh
+++ b/submission/input/7-vacuum-systems/3.0_16AA_104calcite_9nm_crystal_10nm_height.sh
@@ -42,7 +42,7 @@ export PDB_BULK_ZMIN='4.62' # z-coordinate of bottom of bulk part of crystal in
 export PDB_BULK_ZMAX='5.09' # z-coordinate of top of bulk part of crystal in nm in PDB file
 
 # number of each component
-export N_SLAB='1'      # number of crystal slabs {1, 2}
+export N_SLAB='2'      # number of crystal slabs {1, 2}
 export N_MONOMER='1'   # number of monomers in chain {1, 2, 5, 8, 16, 32}
 export N_CHAIN='16'    # number of chains
 export N_CARBONATE='0' # number of aqueous carbonate ions
diff --git a/submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh b/submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh
index e171e0b..e30becb 100755
--- a/submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh
+++ b/submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh
@@ -42,7 +42,7 @@ export PDB_BULK_ZMIN='4.62' # z-coordinate of bottom of bulk part of crystal in
 export PDB_BULK_ZMAX='5.09' # z-coordinate of top of bulk part of crystal in nm in PDB file
 
 # number of each component
-export N_SLAB='1'      # number of crystal slabs {1, 2}
+export N_SLAB='2'      # number of crystal slabs {1, 2}
 export N_MONOMER='16'  # number of monomers in chain {1, 2, 5, 8, 16, 32}
 export N_CHAIN='1'     # number of chains
 export N_CARBONATE='0' # number of aqueous carbonate ions