[gmx-users] Membrane simulation fatal error

[Justin Lemkul]

On 8/28/15 2:11 PM, muhammad tahir ayub wrote:
> Dear Gromacs Experts
>
> I am running a tutoriall for the membrane simulation,
> I found the following fatal error on running grompp command
>
> Fatal error:
> Atomtype CA not found
>
> my lipid.itp or ffnonbonded.itp do not contain the HW atom types or the
> lines like
> ;; parameters for lipid-GROMOS interactions.
>
> I have spended three hours for this error but could not get rid of this
> error
> kindly help me

CA is a GROMOS87 atom type, which means you haven't deleted all of the lines in 
the "parameters for lipid-GROMOS interactions" section.

-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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