[gmx-users] g_gyrate

Nancy Deng jdeng at adrik.bchs.uh.edu
Fri Apr 1 01:24:36 CEST 2005

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?



  ----- 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


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