[gmx-users] Regarding error in grompp while running the tutorial of " KALP15 in DPPC "

[Justin Lemkul]

On 9/17/14 7:20 AM, Anurag Dobhal wrote:
> I am getting an error while running the commmand
>
> gmx grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr
>
>
>
>
>
> Fatal error:
> Unknown bond_atomtype MNH3
>

That shouldn't happen unless you erroneously delete the MNH3 definition within 
ffnonbonded.itp.

-Justin

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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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

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