diff --git a/doc/src/fix_gle.txt b/doc/src/fix_gle.txt index ca7625e2d0..b8d3cc9b34 100644 --- a/doc/src/fix_gle.txt +++ b/doc/src/fix_gle.txt @@ -67,9 +67,10 @@ target value as the {Tstart} and {Tstop} arguments, so that the diffusion matrix that gives canonical sampling for a given A is computed automatically. However, the GLE framework also allow for non-equilibrium sampling, that can be used for instance to model inexpensively zero-point energy -effects "(Ceriotti2)"_#Ceriotti2. This is achieved specifying the -{noneq} keyword followed by the name of the file that contains the -static covariance matrix for the non-equilibrium dynamics. +effects "(Ceriotti2)"_#Ceriotti2. This is achieved specifying the {noneq} + keyword followed by the name of the file that contains the static covariance +matrix for the non-equilibrium dynamics. Please note, that the covariance +matrix is expected to be given in [temperature units]. Since integrating GLE dynamics can be costly when used together with simple potentials, one can use the {every} optional keyword to @@ -148,7 +149,7 @@ dpd/tstat"_pair_dpd.html, "fix gld"_fix_gld.html 1170-80 (2010) :link(GLE4MD) -[(GLE4MD)] "http://epfl-cosmo.github.io/gle4md/"_http://epfl-cosmo.github.io/gle4md/ +[(GLE4MD)] "http://gle4md.org/"_http://gle4md.org/ :link(Ceriotti2) [(Ceriotti2)] Ceriotti, Bussi and Parrinello, Phys Rev Lett 103,