From 41904e568b40a446ec2373ba20b20cad902144d1 Mon Sep 17 00:00:00 2001 From: Massimiliano Bonomi <massimiliano.bonomi@gmail.com> Date: Sun, 21 May 2017 14:16:24 +0200 Subject: [PATCH] fixed a few typos --- user-doc/tutorials/a-trieste-4.txt | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/user-doc/tutorials/a-trieste-4.txt b/user-doc/tutorials/a-trieste-4.txt index 01704caf1..886362f1b 100644 --- a/user-doc/tutorials/a-trieste-4.txt +++ b/user-doc/tutorials/a-trieste-4.txt @@ -15,7 +15,7 @@ Once this tutorial is completed students will be able to: - Calculate the free energy from a metadynamics run - Compute the error associated to the reconstructed free energy - Evaluate the convergence of a metadynamics simulation -- Assert the choice of the collective variables +- Assess the choice of the collective variables \section trieste-4-resources Resources @@ -376,7 +376,7 @@ easily calculate the "unbiasing weights" using the umbrella-sampling-like approa # find maximum value of bias bmax=`awk 'BEGIN{max=0.}{if($1!="#!" && $4>max)max=$4}END{print max}' COLVAR` -# print phi value and weights +# print phi values and weights awk '{if($1!="#!") print $2,exp(($4-bmax)/kbt)}' kbt=2.494339 bmax=$bmax COLVAR > phi.weight \endverbatim -- GitLab