From: Zumot, Elia Nabil (enz1_at_pitt.edu)
Date: Tue Sep 22 2009 - 16:22:40 CDT
Hi,
Go to Mouse > Label > Dihedrals
After selecting the angle go to Graphics > Labels
Highlight the dihedral angle in the list under "dihedrals" then Graph > Graph or Save
Elia
________________________________
From: owner-namd-l_at_ks.uiuc.edu [owner-namd-l_at_ks.uiuc.edu] On Behalf Of Rajiv Abhyankar [rajiv.abhyankar_at_gmail.com]
Sent: Tuesday, September 22, 2009 2:26 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: extracting info from output files
Hello all, I have been using the NAMD software for running SMD simulations. Once I run the simulation, the program generates 4 files - .xsc , .coor , .dcd and .vel right? Suppose I want to follow a particular dihedral angle through the simulation. When the simulation is running I know how to do this using the Tcl script. But is there a way in which I can extract that information or any other such information ( like bond lengths, etc.) after the simulation is finished? I was thinking on the lines of writing the TclForces script inside the coorfile command but that does not seem to work.Could you please help me out with this? Rajiv Abhyankar
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:18 CST