[gmx-users] Is it possible to generate lipid.itp with Charmm36 ff?
yliu120 at jhmi.edu
Tue Apr 7 22:27:45 CEST 2015
I mean I would like to set it up with Charmm36. The provided one is under OPLS and gromos ff.
> On Apr 7, 2015, at 4:20 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>> On 4/7/15 4:18 PM, Yunlong Liu wrote:
>> I am doing membrane-protein simulation with Charmm36 forcefield. I would like to
>> know whether I can generate the lipid force field with Charmm36 by some
>> available tools?
> No need to generate anything. We provide the whole force field here:
> 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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