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.abra...@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 <doctora...@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
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University of Maryland, Baltimore
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