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doc update
[unres.git]
/
doc
/
3.2.1
/
latex
/
whamman.tex
diff --git
a/doc/3.2.1/latex/whamman.tex
b/doc/3.2.1/latex/whamman.tex
index
3d7670a
..
1816fdb
100644
(file)
--- 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{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.
\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{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}
\end{description}