From: David van der Spoel Date: Sun, 11 Nov 2012 12:55:17 +0000 (+0100) Subject: Fixes #1020 options in g_enemat X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=7ec19728eb9aa6cb4d65197426c54c2d0cecc9f2;p=alexxy%2Fgromacs.git Fixes #1020 options in g_enemat Disentangled the options for selecting energy terms. Change-Id: I8b2979a32e75a9e6a0eb641c0965089db5318f69 --- 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"},