[gmx-users] Fatal error : pdb2gmx

poor nima poornings at yahoo.co.in
Fri Dec 30 10:07:38 CET 2005


  Hai,
   
  I am using force field # 4 ( ffgmx* ). 
   
  Thank you..........
   
  Poornima
  
 
David van der Spoel <spoel at xray.bmc.uu.se> wrote:
  poor nima wrote:
> Hai,
> 
> I am using version 3.2.1. I am getting the following error when I run 
> pdb2gmx:
> 
> *Residue 50Fatal error: *Atom type IW (residue HO4) not found in 
> atomtype database
> 
> I have tried 4 different proteins. With all it gives the same error.
what force field?
> 
> can anybody help to solve this!
> 
> Happy New Year to all.
> 
> Thanks in advance.
> 
> With prayers,
> Poornima.
> 
> 
> 
> Send instant messages to your online friends http://in.messenger.yahoo.com
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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