[gmx-users] Atoms in the .top are not numbered consecutively from 1

[Justin Lemkul]

On 6/30/16 6:47 PM, Thanh Le wrote:
> Hi Gandhi,
> My name is Thanh Le, a graduate student in chemistry. Currently, I am using gromacs to do a dynamics simulation for my RNA-protein complex. I saw you posted a question titled “Atoms in the .top are not numbered consecutively from 1” on gromacs forum. I know it has been 4 years since you asked the question. I would like to know if you have solved the problem and how to fix this error?

The atoms of each [moleculetype] directive must be numbered consecutively and 
start from 1.  Global atom numbering plays no part in topological numbering.

-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 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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