[gmx-users] TFE solvent box

correafe at iq.usp.br correafe at iq.usp.br
Wed Dec 20 19:30:01 CET 2006

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 !

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