From 227e3eb4c41e2e6642602deb2e3c7a65b1571943 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Mon, 2 Oct 2017 18:34:58 +0200 Subject: [PATCH] Fixed typo in manual @carlocamilloni \plumedfile only works for input files. --- src/isdb/EMMI.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/isdb/EMMI.cpp b/src/isdb/EMMI.cpp index cfef5cbf2..313287ab1 100644 --- a/src/isdb/EMMI.cpp +++ b/src/isdb/EMMI.cpp @@ -70,12 +70,12 @@ add the NOPBC flag to the input line In this example, we perform a single-structure refinement based on an experimental cryo-EM map. The map is fit with a GMM, whose parameters are listed in the file GMM_fit.dat. This file contains one line per GMM component in the following format: -\plumedfile +\verbatim #! FIELDS Id Weight Mean_0 Mean_1 Mean_2 Cov_00 Cov_01 Cov_02 Cov_11 Cov_12 Cov_22 Beta 0 2.9993805e+01 6.54628 10.37820 -0.92988 2.078920e-02 1.216254e-03 5.990827e-04 2.556246e-02 8.411835e-03 2.486254e-02 1 1 2.3468312e+01 6.56095 10.34790 -0.87808 1.879859e-02 6.636049e-03 3.682865e-04 3.194490e-02 1.750524e-03 3.017100e-02 1 ... -\endplumedfile +\endverbatim To accelerate the computation of the Bayesian score, one can: - use neighbor lists, specified by the keywords NL_CUTOFF and NL_STRIDE; -- GitLab