[gmx-users] AMBER LIPID14 ff in GROMACS

[Justin Lemkul]

On 6/1/17 12:50 PM, Amit Singh wrote:
> Hello Mark,
>       Thank you very much for your prompt reply. Recently, Pluhackova K. *et
> al have *reported a work
> *(Ref: "A Critical Comparison of Biomembrane Force Fields: Structure and
> Dynamics of Model DMPC, POPC, and POPE Bilayers" **DOI*
> 
> *: 10.1021/acs.jpcb.6b01870) related to the use of Amber Lipid14 force
> field for Gromacs. Importantly, In their work, they have given a link for
> *.itp file, which is not working now a days. In this regard, I am looking
> your assistance.*
> *Have a nice day,*
> 

All published papers have corresponding authors and most journals have 
data-sharing requirements.  Contact the corresponding author, not this mailing list.

-Justin

> On Thu, Jun 1, 2017 at 7:05 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
> 
>> Hi,
>>
>> I'm not aware of anybody who's done this. It's a lot of work to produce
>> both the conversion and run a verification suite, which as far as I know
>> the AMBER forcefield developers don't make available even for AMBER
>> simulation package users.
>>
>> Mark
>>
>> On Wed, May 31, 2017 at 6:49 PM Amit Singh <doctorandi at gmail.com> wrote:
>>
>>> Is there any way to use Amber Lipid14 force field parameters for GROMACS
>>> --
>>> सस्नेह / with regards
>>> अमित सिंह / Amit Singh
>>> कम्प्यूटेशनल विज्ञान केंद्र / Centre for Computational Sciences
>>> बुनियादी और अनुप्रयुक्त विज्ञान स्कूल / School of Basic and Applied
>>> Sciences
>>> पंजाब केन्द्रीय विश्वविद्यालय / Central University of Punjab
>>> बठिंडा / Bathinda 151 001
>>> भारत / INDIA
>>> --
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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

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