From 15d9cdee2b394dfb41517ce8beb0f0fb10deff12 Mon Sep 17 00:00:00 2001 From: lindahl Date: Sun, 25 Jan 2004 20:42:32 +0000 Subject: [PATCH] Updated program list --- admin/programs.txt | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/admin/programs.txt b/admin/programs.txt index 5026e2a3c5..fc5b0d11c0 100644 --- a/admin/programs.txt +++ b/admin/programs.txt @@ -13,7 +13,6 @@ HEAD|Running a simulation grompp|makes a run input file tpbconv|makes a run input file for restarting a crashed run mdrun|performs a simulation -xmdrun|performs simulations with extra experimental features END HEAD|Viewing trajectories @@ -44,6 +43,12 @@ g_traj|plots x, v and f of selected atoms/groups (and more) from a trajectory g_analyze|analyzes data sets trjorder|orders molecules according to their distance to a group g_filter|frequency filters trajectories, useful for making smooth movies +g_lie|free energy estimate from linear combinations +g_dyndom|interpolate and extrapolate structure rotations +g_morph|linear interpolation of conformations +g_wham|weighted histogram analysis after umbrella sampling +ffscan|scan and modify force field data for a single point energy calculation +xpm2ps|convert XPM (XPixelMap) file to postscript END HEAD|Distances between structures @@ -51,6 +56,8 @@ g_rms|calculates rmsd's with a reference structure and rmsd matrices g_confrms|fits two structures and calculates the rmsd g_cluster|clusters structures g_rmsf|calculates atomic fluctuations +disco|distance geometry calculation with the CONCOORD algorithm +cdist|create input for disco END HEAD|Distances in structures over time @@ -85,6 +92,10 @@ g_sgangle|computes the angle and distance between two groups g_sorient|analyzes solvent orientation around solutes g_bundle|analyzes bundles of axes, e.g. helices g_disre|analyzes distance restraints +g_clustsize|calculate size distributions of atomic clusters +disco|distance geometry calculation with the CONCOORD algorithm +cdist|create input for disco +anadock|cluster structures from Autodock runs END HEAD|Kinetic properties @@ -130,4 +141,4 @@ mdrun|calculates the Hessian g_nmeig|diagonalizes the Hessian g_anaeig|analyzes the normal modes g_nmens|generates an ensemble of structures from the normal modes -END \ No newline at end of file +END -- 2.11.4.GIT