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Fix help text. Add change mass|charge to manual.
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drroe committed Aug 23, 2023
1 parent 5dcdace commit dec71fe
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Showing 2 changed files with 45 additions and 3 deletions.
44 changes: 43 additions & 1 deletion doc/cpptraj.lyx
Original file line number Diff line number Diff line change
Expand Up @@ -13743,7 +13743,14 @@ change [parm <name> | parmindex <#> | <#> |

\begin_layout LyX-Code
bondparm <make1> [<mask2>] {setrk|scalerk|setreq|scalereq} <value>
}
\end_layout

\begin_layout LyX-Code
{mass|charge} [of <mask>] {to <value>|fromset <data set>}
\end_layout

\begin_layout LyX-Code
}
\end_layout

\begin_deeper
Expand Down Expand Up @@ -14033,6 +14040,41 @@ setreq Set bond equilibrium lengths to <value>.
scalereq Scale bond equilibirum lengths by <value>.
\end_layout

\end_deeper
\begin_layout Description
mass|charge Change mass or charge in specified topology.
\end_layout

\begin_deeper
\begin_layout Description
of
\begin_inset space ~
\end_inset

<mask> Atoms to change mass/charge of.
\end_layout

\begin_layout Description
to
\begin_inset space ~
\end_inset

<value> Value to change mass/charge to.
\end_layout

\begin_layout Description
fromset
\begin_inset space ~
\end_inset

<data
\begin_inset space ~
\end_inset

set> Use values in <data set> for mass/charge; must have the same number
of values as atoms selected by <mask>.
\end_layout

\end_deeper
\end_deeper
\begin_layout Standard
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4 changes: 2 additions & 2 deletions src/Exec_Change.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -18,8 +18,8 @@ void Exec_Change::Help() const
"\t addbond <mask1> <mask2> [req <length> <rk> <force constant>] |\n"
"\t removebonds <mask1> [<mask2>] [out <file>]}\n"
"\t bondparm <mask1> [<mask2>] {setrk|scalerk|setreq|scalereq} <value>\n"
"\t mass [of <mask>] {to <value>|fromset <data set>}\n"
"\t charge [of <mask>] {to <value>|fromset <data set>}\n"
"\t {mass|charge} [of <mask>] {to <value>|fromset <data set>}\n"
"\t}\n"
" Change specified parts of topology or topology of a COORDS data set.\n",
DataSetList::TopArgs);
}
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