X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxpreprocess%2Fgrompp.c;h=0983650920dc88dc5cccafcd9ef21d8910183fa8;hb=9457e6db9a4f932f8d1810d645cf292139e39707;hp=53bdb699c375df66a65f8880d612556d21447a04;hpb=699a16c19edb978adbed2abffe7c5d655fff326e;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxpreprocess/grompp.c b/src/gromacs/gmxpreprocess/grompp.c index 53bdb699c3..0983650920 100644 --- a/src/gromacs/gmxpreprocess/grompp.c +++ b/src/gromacs/gmxpreprocess/grompp.c @@ -1476,7 +1476,9 @@ 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 [TT].mdp[tt] 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",