[gmx-users] TFE solvent box

chiradip chatterjee chiradip75 at yahoo.co.uk
Wed Dec 20 21:06:44 CET 2006

I think replace HO by OA

--- correafe at iq.usp.br wrote:

> Hi all,
> We want to create and simulate a solvent box
> containing TFE. We have  
> already generated the TFE.gro file, and by using
> this file we created  
> a box containing 38 molecules of TFE (TFE_solv.gro).
> We created a file  
> TFE.top including the tfe topology (using tfe.itp,
> provided by  
> GROMACS). When we executed the grompp command to
> generate the .tpr  
> file, there was an error. It was shown the message
> below:
> Fatal error:
> Atom type 'HO' not found !
> Can anyone tell me how to solve this problem ?
> Thanks a lot !
>          Fernando
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Chiradip Chatterjee 
Post Doctoral Research Associate 
Department of Chemistry and Biochemistry 
University of California, Santa Barabara 
Mobile :1-805-637-7995
E-mail:chiradip75 at yahoo.co.uk 
       cchatterjee at chem.ucsb.edu 
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