X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=doc%2F3.2.1%2Flatex%2Fwhamman.tex;h=1816fdb321ec9481af3a17ece71a524f13a87de4;hb=7dd2a0723a7ee82fbdde6aecb5cbbf488130becb;hp=3d7670a367684db30c145473a7f87f5a0124c32d;hpb=0941412b97a571e4389e751d57f0714259566599;p=unres.git diff --git a/doc/3.2.1/latex/whamman.tex b/doc/3.2.1/latex/whamman.tex index 3d7670a..1816fdb 100644 --- a/doc/3.2.1/latex/whamman.tex +++ b/doc/3.2.1/latex/whamman.tex @@ -264,6 +264,12 @@ ref \cite{oldziej_2004}. \item{RESCALE} (1) -- Choice of the type of temperature dependence of the force field. +\item{NSAXS} -- number of distance-distribution bins corresponding to to SAXS + +\item{SCAL\_RAD} -- scaling factor of sidechain radii in calculating Gaussian-smoothed distance distribution. + +\item{BOXX, BOXY, BOXZ} - periodic-box dimensions. + \begin{description} \item{$>0$} -- no temperature dependence. @@ -388,6 +394,7 @@ All items described in this section are input in keyword-based mode. \item{WSCCOR} (1.0) -- sequence-specific virtual-bond-torsional energy. \item{WDIHC} (0.0) -- dihedral-angle-restraint energy. \item{WHPB} (1.0) -- distance-restraint energy. +\item{WSAXS=number} (real) (1.0d0) -- weight of the maximum-likelihood SAXS-restraint term. \end{description}