[gmx-users] Question regarding coarse-graining and all-atom structure

Justin Lemkul jalemkul at vt.edu
Sat Feb 18 23:15:00 CET 2017

On 2/18/17 2:39 PM, ali.khourshaei71 at student.sharif.edu wrote:
> Dear Gromacs users,
> Is there any script I can use to coarse-grain ( based on martini
> forcefield) my lipid bilayer all-atom structure ( based on berger force
> field)? I know Martinize.py has been published, But it is confined to
> Protein I think.

Maybe http://www.cgmartini.nl/index.php/downloads/tools/239-insane is what you want.



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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