[gmx-users] grompp error

Q. Y. HUAN scottiehuan at yahoo.com
Tue Feb 10 04:10:52 CET 2009

 Dear all.
I wanted to run grompp in order to perform Em, but it showed me this fatal errer::

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
checking input for internal consistency...
calling /usr/bin/cpp...
processing topology...
Generated 332520 of the 332520 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 332520 of the 332520 1-4 parameter combinations
Cleaning up temporary file grompptz9Dth

Program grompp_d, VERSION 3.3.3
Source code file: toputil.c, line: 61

Fatal error:
Atomtype 'CH3' not found!

what is the error and where the source code file located?


A beginner of Gromacs user.


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