[gmx-users] non-bond

[Justin Lemkul]

On 1/11/16 2:08 PM, m g wrote:
> Dear Justin,I studied your tutorial "kalp-15 in DPPC", can i used this combination of force field for a drug-DPPC?
>

Possibly, if you think a united-atom model is suitable for this purpose.  The 
Berger lipids are certainly not the best lipid force field out there and it is 
quite old.  Better combinations would be AMBER+Slipids or CHARMM36+CGenFF.

-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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