[EMAIL PROTECTED] 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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read chapter 5 of the manual, and do literature search for a better TFE
model.
--
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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