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g_rama
Langue: en
Version: 111388 (mandriva - 01/05/08)
Section: 1 (Commandes utilisateur)
NAME
g_rama VERSION 3.3_beta_20050823SYNOPSIS
g_rama -f traj.xtc -s topol.tpr -o rama.xvg -[no]h -nice int -b time -e time -dt time -[no]w -[no]xvgrDESCRIPTION
g_rama selects the Phi/Psi dihedral combinations from your topology file and computes these as a function of time. Using simple Unix tools such as grep you can select out specific residues.FILES
-f traj.xtc InputGeneric trajectory: xtc trr trj gro g96 pdb
-s topol.tpr Input
Generic run input: tpr tpb tpa xml
-o rama.xvg Output
xvgr/xmgr file
OTHER OPTIONS
-[no]h noPrint help info and quit
-nice int 19
Set the nicelevel
-b time 0
First frame (ps) to read from trajectory
-e time 0
Last frame (ps) to read from trajectory
-dt time 0
Only use frame when t MOD dt = first time (ps)
-[no]w no
View output xvg, xpm, eps and pdb files
-[no]xvgr yes
Add specific codes (legends etc.) in the output xvg files for the xmgrace program
Contenus ©2006-2024 Benjamin Poulain
Design ©2006-2024 Maxime Vantorre