[gmx-users] AMBER LIPID14 ff in GROMACS

Amit Singh doctorandi at gmail.com
Thu Jun 1 18:50:17 CEST 2017


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,*

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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>


-- 
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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