From e2c6c8f589a63fd1053262f19459bf9f898e8005 Mon Sep 17 00:00:00 2001 From: Daniel Bauer Date: Tue, 13 Nov 2018 12:22:09 +0100 Subject: [PATCH] typos --- README.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index c15eb84..76fb42a 100644 --- a/README.md +++ b/README.md @@ -4,8 +4,8 @@ Weighted Histogram Analysis Method (WHAM) === This is an fast implementation of the weighted histogram analysis method written in Rust. It allows the calculation of multidimensional free energy profiles -from umbrella sampling simulations. For more details on the method, I suggest Roux, B. -(1995). The calculation of the potential of mena force using computer simulations, CPC, 91(1), 275-282. +from umbrella sampling simulations. For more details on the method, I suggest *Roux, B. +(1995). The calculation of the potential of mean force using computer simulations, CPC, 91(1), 275-282.* Features --- @@ -74,8 +74,8 @@ Error analysis WHAM can perform error analysis using the bayesian bootstrapping method. Every simulation window is assumed to be an individual set of data point. By calculating probabilities N times with randomly assigned weights for each window, one can estimate the error as standard deviation between the N bootstrapping runs. For more details see -van der Spoel, D. et al. (2010). g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and -Autocorrelation Estimates, JCTC, 6(12), 3713-3720. +*Van der Spoel, D. et al. (2010). g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and +Autocorrelation Estimates, JCTC, 6(12), 3713-3720*. To perform bayesian bootstrapping in WHAM, use the ```-bt ``` flag to perform individual bootstrapping runs. The error estimates of bin probabilities and free energy will be given as separate column (+/-) in the output file.