[gmx-users] Sanjay (REg. Grompp error CA ATOM NOT FOUND)

Justin Lemkul jalemkul at vt.edu
Fri May 15 13:59:05 CEST 2015

On 5/15/15 6:29 AM, sanjay choubey wrote:
> HI,  Thanks for your cooperation. Last time i asked about grompp error in
> running membrane dynamics simulation.   THe error was atom type CA Not found.
> You suggested me to remove CA from DPPC.itp. But no effect still i am getting

I did not suggest that.  You shouldn't modify DPPC.itp in any way.

> the     same error.                   Secondly may i request you to know
> about topol_dppc.top file. In the tutorial under the section defining protein
> and membrane                     in membrane simulation its given.

What do you want to know about it?  It is a very simple topology that 
corresponds to the hydrated 128-DPPC membrane.



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


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