[gmx-users] trajectory movie

Nancy Deng jdeng at adrik.bchs.uh.edu
Fri Apr 1 19:54:17 CEST 2005


Dear All,

I'm just wondering whether anyone could suggest me some (free) tools to make a movie from the MD trajectory file. Then the movie (in .avi format etc) could be inserted into power point for presentation.

Appreciate your any information.

nancy
  ----- Original Message ----- 
  From: Nancy Deng 
  To: Discussion list for GROMACS users 
  Sent: Thursday, March 31, 2005 3:24 PM
  Subject: Re: [gmx-users] g_gyrate


  Dear All,

  I have done 2ns MD with gmx_FF and was trying to calculate the radius of gyration of the entire protein by: g_gyrate -s 2ns.tpr -f 2ns.trr -o 2ns.xvg

  The program stopped at 560ps with the "fatal error: Can not determine precision of trn file, quit!"

  Does any one please have any idear what really happend here??? what's the trn file?

  Thanks,

  nancy


    ----- Original Message ----- 
    From: narender maan 
    To: gmx-users at gromacs.org 
    Sent: Thursday, March 24, 2005 10:54 AM
    Subject: [gmx-users] g_anaeig


    Dear gmx-users
    I am doing ED of my simulation and while using g_anaeig the file (eigrmsf.xvg) i am getting for rmsf (by using -rmsf option) is for all the atoms in the protein. So i was wondering if there's anyway to calculate averages for each residue in eigrmsf.xvg instead of atoms (like the way it is in g_rmsf by using the option of -res)  
    thank you
    NSM


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