From b933bdb841e750fc61e88fc52b674eb29fdc031c Mon Sep 17 00:00:00 2001 From: Carsten Kutzner Date: Thu, 17 Jan 2013 13:39:35 +0100 Subject: [PATCH] Added note about make_edi and flooding in ED paragraph Change-Id: I735c75194aeaa76570d211e51665ec89cfc3ef82 --- src/kernel/mdrun.c | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/src/kernel/mdrun.c b/src/kernel/mdrun.c index 5c6a23b9c3..52f65300ed 100644 --- a/src/kernel/mdrun.c +++ b/src/kernel/mdrun.c @@ -243,10 +243,11 @@ int cmain(int argc,char *argv[]) "forces and energies will be (re)calculated. Neighbor searching will be", "performed for every frame, unless [TT]nstlist[tt] is zero", "(see the [TT].mdp[tt] file).[PAR]", - "ED (essential dynamics) sampling is switched on by using the [TT]-ei[tt]", - "flag followed by an [TT].edi[tt] file.", - "The [TT].edi[tt] file can be produced using options in the essdyn", - "menu of the WHAT IF program. [TT]mdrun[tt] produces a [TT].xvg[tt] output file that", + "ED (essential dynamics) sampling and/or additional flooding potentials", + "are switched on by using the [TT]-ei[tt] flag followed by an [TT].edi[tt]", + "file. The [TT].edi[tt] file can be produced with the [TT]make_edi[tt] tool", + "or by using options in the essdyn menu of the WHAT IF program.", + "[TT]mdrun[tt] produces a [TT].xvg[tt] output file that", "contains projections of positions, velocities and forces onto selected", "eigenvectors.[PAR]", "When user-defined potential functions have been selected in the", -- 2.22.0