[gmx-users] error no default LJ-14 type

[Justin A. Lemkul]

Without seeing the .top and getting a little background on what you've done to 
prepare said topology, it's hard to say.  Generically, you haven't properly 
accounted for the atom types in the 1-4 interactions, hence grompp can't assign 
these LJ-14 types.

Are you by any chance following my tutorial 
(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html)? 
  If so, the instructions guide you through exactly how to build the system and 
the topology.

-Justin

akalabya bissoyi wrote:
> hello gromac
> m trying to simulate KALP-15 in DPPC.
>  when m running grompp command it shows the following error.
> 
> Generated 837 of the 2346 non-bonded parameter combinations
> 
> ERROR 0 [file "dppc.itp", line 112]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 113]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 114]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 115]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 116]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 117]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 118]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 119]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 120]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 121]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 122]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 123]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 124]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 125]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 126]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 127]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 128]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 129]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 130]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 131]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 132]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 133]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 134]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 135]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 136]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 137]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 138]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 139]:
> 
> No default LJ-14 types
> 
> ERROR 0 [file "dppc.itp", line 140]:
> 
> No default LJ-14 types
> 
> plz suggest me how to correct the error.( m using GROMAC 3.3.3 version.)
> 
> thnks in advance...
> 
> 
> 
>                                AKALABYA BISSOYI(N.I.T.Rourkela)
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================