diff --git a/src/colvar/PCARMSD.cpp b/src/colvar/PCARMSD.cpp index 4cb0921e28ef5db0d7ed94890420439fc6f0eacd..561464a4185f8cc01a460d5e8af97c5ff6c0af27 100644 --- a/src/colvar/PCARMSD.cpp +++ b/src/colvar/PCARMSD.cpp @@ -76,6 +76,7 @@ void PCARMSD::registerKeywords(Keywords& keys) { keys.addOutputComponent("eig","default","the projections on each eigenvalue are stored on values labeled eig-1, eig-2, ..."); keys.addOutputComponent("residual","default","the distance of the present configuration from the configuration supplied as AVERAGE in terms of MSD after optimal alignment "); keys.addFlag("SQUARED-ROOT",false," This should be setted if you want RMSD instead of MSD "); + keys.addFlag("SQUARED_ROOT",false," Same as SQUARED-ROOT"); } PCARMSD::PCARMSD(const ActionOptions&ao): @@ -88,6 +89,7 @@ PCARMSD::PCARMSD(const ActionOptions&ao): string f_eigenvectors; parse("EIGENVECTORS",f_eigenvectors); bool sq; parseFlag("SQUARED-ROOT",sq); + if(!sq) parseFlag("SQUARED_ROOT",sq); if (sq) { squared=false; } checkRead();