From 7ec19728eb9aa6cb4d65197426c54c2d0cecc9f2 Mon Sep 17 00:00:00 2001 From: David van der Spoel Date: Sun, 11 Nov 2012 13:55:17 +0100 Subject: [PATCH] Fixes #1020 options in g_enemat Disentangled the options for selecting energy terms. Change-Id: I8b2979a32e75a9e6a0eb641c0965089db5318f69 --- src/tools/gmx_enemat.c | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/tools/gmx_enemat.c b/src/tools/gmx_enemat.c index 18cb971e60..077b885ce6 100644 --- a/src/tools/gmx_enemat.c +++ b/src/tools/gmx_enemat.c @@ -122,11 +122,11 @@ int gmx_enemat(int argc,char *argv[]) { "-nlevels", FALSE, etINT, {&nlevels},"number of levels for matrix colors"}, { "-max",FALSE, etREAL, {&cutmax},"max value for energies"}, { "-min",FALSE, etREAL, {&cutmin},"min value for energies"}, - { "-coul", FALSE, etBOOL, {&bCoulSR},"extract Coulomb SR energies"}, - { "-coulr", FALSE, etBOOL, {&bCoulLR},"extract Coulomb LR energies"}, + { "-coulsr", FALSE, etBOOL, {&bCoulSR},"extract Coulomb SR energies"}, + { "-coullr", FALSE, etBOOL, {&bCoulLR},"extract Coulomb LR energies"}, { "-coul14",FALSE, etBOOL, {&bCoul14},"extract Coulomb 1-4 energies"}, - { "-lj", FALSE, etBOOL, {&bLJSR},"extract Lennard-Jones SR energies"}, - { "-lj", FALSE, etBOOL, {&bLJLR},"extract Lennard-Jones LR energies"}, + { "-ljsr", FALSE, etBOOL, {&bLJSR},"extract Lennard-Jones SR energies"}, + { "-ljlr", FALSE, etBOOL, {&bLJLR},"extract Lennard-Jones LR energies"}, { "-lj14",FALSE, etBOOL, {&bLJ14},"extract Lennard-Jones 1-4 energies"}, { "-bhamsr",FALSE, etBOOL, {&bBhamSR},"extract Buckingham SR energies"}, { "-bhamlr",FALSE, etBOOL, {&bBhamLR},"extract Buckingham LR energies"}, -- 2.22.0