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Update advice about grompp -t
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grompp -t state.cpt does not copy coupling-algorithm state from a .cpt
into the new .tpr, even though it can still do so from grompp -e.

Refs #1775

Change-Id: I8c4d68fc8d3750b79f30c0f77115c80e1f3cf9b3
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mabraham authored and Gerrit Code Review committed Jul 19, 2015
1 parent 699a16c commit 9457e6d
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4 changes: 3 additions & 1 deletion src/gromacs/gmxpreprocess/grompp.c
Original file line number Diff line number Diff line change
Expand Up @@ -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",
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