[gmx-users] error in .gro file

Egidijus Kuprusevicius ekuprusevicius at yahoo.com
Fri Jan 25 19:36:54 CET 2008


Dear all,
  I have tried to avoid using pdb2gmx and created manualy gro file and included my own itp in top file (itp file is the same as that who was included in rtp (in previous message 'error in rtp file')). I still having an error:
   
  -------------------------------------------------------
Program genbox_d, VERSION 3.3.2
Source code file: statutil.c, line: 797
  Invalid command line argument:
dgr.gro
-------------------------------------------------------
  
do I need to change something in my itp or gro? I do not know what causes such an error (the same is true and with a previous error - unknown origin). If anybody could help me, I will be very thankfull.

       
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