[gmx-users] Re: Regarding Error "Atomtype OS not found"

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 13 13:38:40 CEST 2010

Vitaly V. Chaban wrote:
>> Opening library file /usr/local/gromacs/share/gromacs/top/ff_dum.itp
>> Generated 837 of the 2346 non-bonded parameter combinations
>> -------------------------------------------------------
>> Program grompp, VERSION 4.0.5
>> Source code file: toppush.c, line: 947
>> Fatal error:
>> Atomtype OS not found
>> Can anyone help me to solve this problem?
>> Any kind of help is highly appreciable.
> Post your "ff_dum.itp" here.

Since ff_dum.itp is always read in by grompp, unless it has been severely hacked 
(which is possible), it is more likely that there is some inappropriate mixing 
of force fields going on here, like including a ligand topology that doesn't 
match the force field applied to the rest of the system.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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