From 3d083061ee5466249871538de180ef581b882c5d Mon Sep 17 00:00:00 2001 From: juleaduriz Date: Wed, 11 Dec 2024 12:03:24 +0100 Subject: [PATCH] Deployed d51263b with MkDocs version: 1.6.1 --- index.html | 2 +- metadynamics/metadynamics-with-Q/index.html | 5 ++--- search/search_index.json | 2 +- 3 files changed, 4 insertions(+), 5 deletions(-) diff --git a/index.html b/index.html index 514a89b..5b29dd6 100644 --- a/index.html +++ b/index.html @@ -164,5 +164,5 @@

Running simulat diff --git a/metadynamics/metadynamics-with-Q/index.html b/metadynamics/metadynamics-with-Q/index.html index 5c3eed4..698f861 100644 --- a/metadynamics/metadynamics-with-Q/index.html +++ b/metadynamics/metadynamics-with-Q/index.html @@ -100,9 +100,8 @@

Defining native contacts (Q) as collective variable

In order to understand how to implement Q as a collective variable in PLUMED one needs to understand how Q is defined:

-
$Q(X) = \frac{1}{N} 
-\sum_{\left(i,i\ritgh)\frac{1}{1+exp\left[\beta \left(r_{ij}(X)-\lambda r^{0}_{ij}\right)]}}$
-
+

$$Q(X) = \frac{1}{N} +\sum_{\left(i,i\ritgh)\frac{1}{1+exp\left[\beta \left(r_{ij}(X)-\lambda r^{0}_{ij}\right)]}}$$