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Dummy particles of water should have X element
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3 files changed

+4
-4
lines changed

3 files changed

+4
-4
lines changed

Molecules/solution/SOL/mappingOPCwater.yaml

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@@ -4,5 +4,5 @@ M_H1_M:
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ATOMNAME: HW1
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M_H2_M:
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ATOMNAME: HW2
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M_Vi_M:
7+
M_X_M:
88
ATOMNAME: MW

Molecules/solution/SOL/mappingSWM4water.yaml

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@@ -4,7 +4,7 @@ M_H1_M:
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ATOMNAME: H1
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M_H2_M:
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ATOMNAME: H2
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M_D1_M:
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M_X1_M:
88
ATOMNAME: DOH2
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M_D2_M:
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M_X2_M:
1010
ATOMNAME: OM

Molecules/solution/SOL/mappingTIP4Pwater.yaml

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@@ -4,5 +4,5 @@ M_H1_M:
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ATOMNAME: HW1
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M_H2_M:
66
ATOMNAME: HW2
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M_Vi_M:
7+
M_X_M:
88
ATOMNAME: MW

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