Skip to content

Commit 9f72f0d

Browse files
committed
doc: Document the lack of support for appending output files in GROMACS
Fixes #861 [update-doc]
1 parent 1aeac46 commit 9f72f0d

File tree

1 file changed

+7
-0
lines changed

1 file changed

+7
-0
lines changed

doc/colvars-refman-main.tex

Lines changed: 7 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1159,6 +1159,13 @@
11591159

11601160
\cvnamdonly{Lastly, the total energy of all biases or restraints applied to the colvars appears under the NAMD standard output, under the MISC column.}
11611161

1162+
\cvgromacsonly{
1163+
\textbf{Note:} please note that appending output files is not supported for all Colvars output files, and is therefore disabled: when running with the same output prefix, existing files will be backed up and replaced. When using Colvars, we highly recommend that you run GROMACS as:
1164+
\begin{mdexampleinput}
1165+
\-gmx~mdrun~-s~topol.tpr~-noappend~...\\
1166+
\end{mdexampleinput}
1167+
}
1168+
11621169

11631170
\cvsubsec{File formats}{sec:colvars_file_formats}
11641171

0 commit comments

Comments
 (0)