[gmx-users] help

[Justin Lemkul]

On 10/20/14 9:23 AM, 玻耳兹曼 wrote:
> dear all
>
>
> I  am new in gromacs .I got an error while running the tutorial of  KALP15 in DPPC . I issue  a command ;
> grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr  , and i received a fatal error :
>
>
>
> Back Off! ....
> Generated 837 of the 2346 non-bonded parameter combinations
>
>
> ERROR 1 [file dppc.itp, line 112]:
>    No default LJ-14 types
>
> ERROR 2 [file dppc.itp, line 113]:
>    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
>
> Fatal error:
> There were 29 errors in input file
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
>
>
> what can i do.‍
>

You haven't constructed the force field correctly.  Back up to the previous step 
and be sure to follow all of the instructions exactly.

-Justin

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

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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