X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxpreprocess%2Fgrompp.cpp;h=d8a6737091a6bc1bbee23613862035b37f925ce3;hb=5750bfe806310856448a1e7baf46a7d648d1185e;hp=8a6e43c666382223b157bbf261700cd739252faa;hpb=3dadfbb969e79953a942885fb931908a36fcaf08;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxpreprocess/grompp.cpp b/src/gromacs/gmxpreprocess/grompp.cpp index 8a6e43c666..d8a6737091 100644 --- a/src/gromacs/gmxpreprocess/grompp.cpp +++ b/src/gromacs/gmxpreprocess/grompp.cpp @@ -1480,7 +1480,9 @@ int gmx_grompp(int argc, char *argv[]) "with [TT]-cpi[tt]. If you wish to change the ensemble or things", "like output frequency, then supplying the checkpoint file to", "[THISMODULE] with [TT]-t[tt] along with a new [REF].mdp[ref] file", - "with [TT]-f[tt] is the recommended procedure.[PAR]", + "with [TT]-f[tt] is the recommended procedure. Actually preserving", + "the ensemble (if possible) still requires passing the checkpoint", + "file to [gmx-mdrun] [TT]-cpi[tt].[PAR]", "By default, all bonded interactions which have constant energy due to", "virtual site constructions will be removed. If this constant energy is",