X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Ftrajectoryanalysis%2Fmodules%2Fmsd.cpp;h=0a0dd25616e296690a6b9e50689926f763388b46;hb=fc45086679a260d831d4eff3f61738e815897424;hp=beae64d65e997c07c119c284dab0d0da6cf5f7d5;hpb=32c034972531b058c791c4ae8a8e635d89707fbb;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/trajectoryanalysis/modules/msd.cpp b/src/gromacs/trajectoryanalysis/modules/msd.cpp index beae64d65e..0a0dd25616 100644 --- a/src/gromacs/trajectoryanalysis/modules/msd.cpp +++ b/src/gromacs/trajectoryanalysis/modules/msd.cpp @@ -391,12 +391,9 @@ struct MsdGroupData /*! \brief Implements the gmx msd module * - * \todo Implement -(no)mw. Right now, all calculations are mass-weighted with -mol, and not otherwise * \todo Implement -tensor for full MSD tensor calculation * \todo Implement -rmcomm for total-frame COM removal * \todo Implement -pdb for molecule B factors - * \todo Implement -maxtau option proposed at https://gitlab.com/gromacs/gromacs/-/issues/3870 - * \todo Update help text as options are added and clarifications decided on at https://gitlab.com/gromacs/gromacs/-/issues/3869 */ class Msd : public TrajectoryAnalysisModule {