[gmx-users] Atomtype CG311 not found

[Justin Lemkul]

On 1/23/17 11:47 AM, Poncho Arvayo Zatarain wrote:
>
> Hello everyone: i´m trying to minimize a dppc-dppe-heta membrane, using charmm36. But when i use the grompp i have the following error:
>
> line: 1353 Fatal error: Atomtype CG311 not found.
> My topology includes:
> include "toppar/charmm36.itp"
> include "toppar/DPPE.itp"
> include "toppar/DPPC.itp"
> include "toppar/HETA.itp
> include "toppar/TIP3.itp
>
> [System]
> DPPC 26
> DPPE 230
> HETA 72
> TIP3 72
>
> Is there any relationship with my forcefield, the topology and the error that appears?
>

This appears to be from CHARMM-GUI, which means it should work out of the box. 
CHARMM-GUI provides you with topologies that only contain a subset of the full 
CHARMM36/CGenFF force field, the part that applies to your system.  If you make 
changes, add new species, etc. then your inputs might not work because your 
force field may not contain the necessary parameters.

-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

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