[gmx-users] Is it possible to generate lipid.itp with Charmm36 ff?

[Yunlong Liu]

Hi Justin,

I mean I would like to set it up with Charmm36. The provided one is under OPLS and gromos ff.

Yunlong

> 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:
>> Hi,
>> 
>> 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:
> 
> http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
> 
> -Justin
> 
> -- 
> ==================================================
> 
> 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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