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

ITHAYARAJA ithayaraja at gmail.com
Mon May 9 17:57:45 CEST 2011

Dear Sir


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/
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
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