[gmx-users] error in kalp15 in water tutorial

[Justin A. Lemkul]

Preeti Gupta wrote:
> To all gromacs user,
> I m trying the KALP15 in water tutorial, in which at the second command 
> "grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr", i have 
> got the following error:
> 
> ERROR 1 [file dppc.itp, line 112]:
>   No default LJ-14 types
> 
> 

You haven't properly constructed the necessary force field files, hence all of 
these atom types are going unrecognized.

-Justin

> ERROR 2 [file dppc.itp, line 113]:
>   No default LJ-14 types
> 
> 
> ERROR 3 [file dppc.itp, line 114]:
>   No default LJ-14 types
> 
> 
> ERROR 4 [file dppc.itp, line 115]:
>   No default LJ-14 types
> 
> 
> ERROR 5 [file dppc.itp, line 116]:
>   No default LJ-14 types
> 
> 
> ERROR 6 [file dppc.itp, line 117]:
>   No default LJ-14 types
> 
> 
> ERROR 7 [file dppc.itp, line 118]:
>   No default LJ-14 types
> 
> 
> ERROR 8 [file dppc.itp, line 119]:
>   No default LJ-14 types
> 
> 
> ERROR 9 [file dppc.itp, line 120]:
>   No default LJ-14 types
> 
> 
> ERROR 10 [file dppc.itp, line 121]:
>   No default LJ-14 types
> 
> 
> ERROR 11 [file dppc.itp, line 122]:
>   No default LJ-14 types
> 
> 
> ERROR 12 [file dppc.itp, line 123]:
>   No default LJ-14 types
> 
> 
> ERROR 13 [file dppc.itp, line 124]:
>   No default LJ-14 types
> 
> 
> ERROR 14 [file dppc.itp, line 125]:
>   No default LJ-14 types
> 
> 
> ERROR 15 [file dppc.itp, line 126]:
>   No default LJ-14 types
> 
> 
> ERROR 16 [file dppc.itp, line 127]:
>   No default LJ-14 types
> 
> 
> ERROR 17 [file dppc.itp, line 128]:
>   No default LJ-14 types
> 
> 
> ERROR 18 [file dppc.itp, line 129]:
>   No default LJ-14 types
> 
> 
> ERROR 19 [file dppc.itp, line 130]:
>   No default LJ-14 types
> 
> 
> ERROR 20 [file dppc.itp, line 131]:
>   No default LJ-14 types
> 
> 
> ERROR 21 [file dppc.itp, line 132]:
>   No default LJ-14 types
> 
> 
> ERROR 22 [file dppc.itp, line 133]:
>   No default LJ-14 types
> 
> 
> ERROR 23 [file dppc.itp, line 134]:
>   No default LJ-14 types
> 
> 
> ERROR 24 [file dppc.itp, line 135]:
>   No default LJ-14 types
> 
> 
> ERROR 25 [file dppc.itp, line 136]:
>   No default LJ-14 types
> 
> 
> ERROR 26 [file dppc.itp, line 137]:
>   No default LJ-14 types
> 
> 
> ERROR 27 [file dppc.itp, line 138]:
>   No default LJ-14 types
> 
> 
> ERROR 28 [file dppc.itp, line 139]:
>   No default LJ-14 types
> 
> 
> ERROR 29 [file dppc.itp, line 140]:
>   No default LJ-14 types
> 
> Excluding 3 bonded neighbours molecule type 'DPPC'
> Excluding 2 bonded neighbours molecule type 'SOL'
> 
> -------------------------------------------------------
> Program grompp, VERSION 4.5.4
> Source code file: grompp.c, line: 1370
> 
> Fatal error:
> There were 29 errors in input file(s)
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> 
> can anybody solve this problem.
> thanks in advace.
> 
> preeti
>  
> 

-- 
========================================

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

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