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

[Justin Lemkul]

On 4/7/15 4:27 PM, Yunlong Liu wrote:
> Hi Justin,
>
> I mean I would like to set it up with Charmm36. The provided one is under OPLS and gromos ff.
>

Visit the link I posted.  Our force field files have nothing to do with OPLS or 
GROMOS.  There is no such thing as "lipid.itp" for CHARMM36; that commonly 
refers to the Berger parameters, as distributed by Peter Tieleman's group.

-Justin

> 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
>>
>> ==================================================
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

-- 
==================================================

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

==================================================