[gmx-users] xtc, rmsd

[Michal Kolinski]

Hi all
I'm trying to calculate the rmsd for C-alpha in my system (for 2ns long MD).
When I:
 
g_rms_gmx33 -s po -n grupy.ndx -f po -o rmsd_mu
 
 
I get the following error:
 
...
....
.......

Group    10 ( Prot-Masses) has  4009 elements
Group    11 ( Non-Protein) has 31709 elements
Group    12 (        DPPC) has  5200 elements
Group    13 (         SOL) has 26478 elements
Group    14 (          Cl) has     7 elements
Group    15 (       Other) has 31709 elements
Group    16 (      MU_FIX) has   695 elements
Select a group: 16
Selected 16: 'MU_FIX'
Reading frame     390 time  780.000   -------------------------------------------------------
Program g_rms_gmx3, VERSION 3.3
Source code file: xtcio.c, line: 83
 
Fatal error:
Magic Number Error in XTC file (read 0, should be 1995)
-------------------------------------------------------
 
"Step Aside, Butch" (Pulp Fiction
 
 
 
Please give me some suggestions what might be  the problem, and how to fix it?
(I'm using GROMACS_3.3)

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