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Fix math rendering due to markup issue
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braniii authored May 16, 2023
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Expand Up @@ -40,15 +40,15 @@ different approaches suggested by [Nagel et al.
distance between the residues $i$ and $j$ is given by the minimal distance of
the heavy atoms $n\in i$, $m\in j$, so

$$ d_{ij}(t) = \min_{n,m} |\mathbf{r}_{i, n}(t) - \mathbf{r}_{i, n}(t)| $$
$$ d_{ij}(t) = \min_{n,m} |\mathbf{r}_ {i, n}(t) - \mathbf{r}_ {i, n}(t)| $$

and a contact distance must be below $0.45\:\text{nm}$
with probability $P_{ij}\ge 0.3$.

The second definition, used in `hp35.mindists2`, takes the minimum only over
all atomic distances $n$, $m$ which are formed more frequent than $0.3$, so

$$ d_{ij}(t) = \min_{P_{n,m}\ge 0.3} |\mathbf{r}_{i, n}(t) - \mathbf{r}_{i,n}(t)|\;.$$
$$ d_{ij}(t) = \min_{P_{n,m}\ge 0.3} |\mathbf{r}_ {i, n}(t) - \mathbf{r}_ {i,n}(t)|\;.$$

The indices corresponding to each column can be found in `hp35.mindists.ndx`
and `hp35.mindists2.ndx`, respectively.
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