From 113b3b8049f60e1764ec6a1f9c313764ee44a5b6 Mon Sep 17 00:00:00 2001 From: Carsten Kutzner Date: Mon, 30 Nov 2009 13:50:09 +0100 Subject: [PATCH] Enforced rotation: changed mdrun switch -r to -ro to prevent confusing it with -r switch in g_tune_pme --- src/kernel/mdrun.c | 2 +- src/mdlib/pull_rotation.c | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/kernel/mdrun.c b/src/kernel/mdrun.c index 64e90996e7..d49f8ed8f6 100644 --- a/src/kernel/mdrun.c +++ b/src/kernel/mdrun.c @@ -275,7 +275,7 @@ int main(int argc,char *argv[]) { efXVG, "-runav", "runaver", ffOPTWR }, { efXVG, "-px", "pullx", ffOPTWR }, { efXVG, "-pf", "pullf", ffOPTWR }, - { efXVG, "-r", "rotation", ffOPTWR }, + { efXVG, "-ro", "rotation", ffOPTWR }, { efLOG, "-ra", "rotangles",ffOPTWR }, { efLOG, "-rs", "rotslabs", ffOPTWR }, { efLOG, "-rt", "rottorque",ffOPTWR }, diff --git a/src/mdlib/pull_rotation.c b/src/mdlib/pull_rotation.c index fb2f9c71fa..43eaecf216 100644 --- a/src/mdlib/pull_rotation.c +++ b/src/mdlib/pull_rotation.c @@ -2666,7 +2666,7 @@ void init_rot(FILE *fplog,t_inputrec *ir,int nfile,const t_filenm fnm[], er->out_torque = NULL; if (MASTER(cr)) { - er->out_rot = open_rot_out(opt2fn("-r",nfile,fnm), rot, oenv, Flags); + er->out_rot = open_rot_out(opt2fn("-ro",nfile,fnm), rot, oenv, Flags); if (bFlex) { if (rot->nstrout > 0) -- 2.11.4.GIT