[gmx-users] Fatal error: Atomtype CB not found

[ITHAYARAJA]

Dear Sir

Greetings!

I am following every gromacs applications based on your manuals. I now get
stuck in grompp -energy minimization step during generation of .tpr file for
my ligand and protein. the error which i found is the following,


Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.5#

WARNING 1 [file em.mdp, line unknown]:
  Unknown or double left-hand 'coulomtype' in parameter file


checking input for internal consistency...
processing topology...
Opening library file /usr/share/gromacs/top/
ffG43a1.itp
Opening library file /usr/share/gromacs/top/ffG43a1nb.itp
Opening library file /usr/share/gromacs/top/ffG43a1bon.itp
Opening library file /usr/share/gromacs/top/ff_dum.itp
Generated 279 of the 1225 non-bonded parameter combinations

-------------------------------------------------------
Program grompp, VERSION 4.0.7
Source code file: ../../../../src/kernel/toppush.c, line: 947

Fatal error:
Atomtype CB not found
-------------------------------------------------------

Sir, I couldn't understand what did it refers to? So I kindly request you
spare your little time from your busy schedule to solve this problem.

Thank you, Sir


-- 
**
Ithayaraja M,
Research Scholar,
Department of Bionformatics,
Bharathiar University,
Coimbatore 641 046,
Tamil Nadu
India
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