[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 !
Fernando
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