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--- exercise:nacl_free_energy [2014/05/30 11:31] – [Average Largange multiplier for NaCl in water at 350K (incomplete)] oschuett
+++ exercise:nacl_free_energy [2014/05/30 15:17] – [2. Task: Free energy curve at 1K (gas phase)] oschuett
@@ Line 34: / Line 34: @@
 From these forces the free energy difference can be obtained via integration:
 \begin{equation}
-\Delta A = \int_a^b F(x)\, dx
+\Delta A = -\int_a^b F(x)\, dx
 \end{equation}
 A dissociation profile can be obtained by choosing the closest distance $d_{min}$ as lower integration-bound:
 \begin{equation}
-A(d) = \int_{d_{min}}^d F(x)\, dx
+A(d) = -\int_{d_{min}}^d F(x)\, dx
 \end{equation}