| version 1.2 | version 1.3 |
|---|
| |
| \item \texttt{load} \emph{$<$prefix$>$}: same as above, but without the \texttt{.colvars.state} suffix; | \item \texttt{load} \emph{$<$prefix$>$}: same as above, but without the \texttt{.colvars.state} suffix; |
| \item \texttt{save} \emph{$<$prefix$>$}: save the current state in a file whose name begins with the given argument; if any of the biases have additional output files defined, those are saved as well using the same prefix; | \item \texttt{save} \emph{$<$prefix$>$}: save the current state in a file whose name begins with the given argument; if any of the biases have additional output files defined, those are saved as well using the same prefix; |
| \item \texttt{update}: recalculate all colvars and biases based on the current atomic coordinates; | \item \texttt{update}: recalculate all colvars and biases based on the current atomic coordinates; |
| | \item \texttt{addenergy} \emph{$<$E$>$}: add value \emph{E} to the total bias energy; this must be used within \texttt{calc\_colvar\_forces}; |
| \item \texttt{printframe}: return a summary of the current frame, in a format equivalent to a line of the collective variables trajectory file; | \item \texttt{printframe}: return a summary of the current frame, in a format equivalent to a line of the collective variables trajectory file; |
| \item \texttt{printframelabels}: return text labels for the columns of \texttt{printframe}'s output; | \item \texttt{printframelabels}: return text labels for the columns of \texttt{printframe}'s output; |
| \cvvmdonly{ | \cvvmdonly{ |