From be6b0f9621ef6e83cb60ebf014fce18e46323400 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Tue, 14 Aug 2012 15:02:34 +1000 Subject: [PATCH] Explicitly noted an issue with use of genbox -maxsol Change-Id: I6f16c94296e7e17150331e4d3072d6430fb87bff --- src/tools/gmx_genbox.c | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/tools/gmx_genbox.c b/src/tools/gmx_genbox.c index 6e224e991d..ff91f8bc66 100644 --- a/src/tools/gmx_genbox.c +++ b/src/tools/gmx_genbox.c @@ -652,8 +652,9 @@ int gmx_genbox(int argc,char *argv[]) "equlibrated in periodic boundary conditions to ensure a good", "alignment of molecules on the stacking interfaces.", "The [TT]-maxsol[tt] option simply adds only the first [TT]-maxsol[tt]", - "solvent molecules and leaves out the rest would have fit into the box.", - "[PAR]", + "solvent molecules and leaves out the rest that would have fitted", + "into the box. This can create a void that can cause problems later.", + "Choose your volume wisely.[PAR]", "The program can optionally rotate the solute molecule to align the", "longest molecule axis along a box edge. This way the amount of solvent", -- 2.11.4.GIT