BioExcel Centre of Excellence for Computational Biomolecular Research
Published November 16, 2015 | Version v1
Journal article Open

Parmbsc1: a refined force field for DNA simulations

Creators

Description

We present parmbsc1, a force field for DNA atomistic simulation, which has been parameterized from high-level quantum mechanical data and tested for nearly 100 systems (representing a total simulation time of ~140 μs) covering most of DNA structural space. Parmbsc1 provides high-quality results in diverse systems.

Parameters and trajectories are available at
http://mmb.irbbarcelona.org/ParmBSC1/

 

 

Notes

Attached PDF is submitted preprint - see http://dx.doi.org/10.1038/nmeth.3658 for published version.

Files

parmBSC1.frcmod.txt

Files (4.4 MB)

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md5:c28a6c3b9f6234555a9372e1d39dacac
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md5:c46a55ac9c4dbebd0c8350407ec637e1
154.3 kB Preview Download
md5:98542bf2320db45a4afc0dab860e1277
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md5:e9034524875456366f18cd42aaf98d0a
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Additional details

Related works

Is supplemented by
http://mmb.irbbarcelona.org/ParmBSC1/ (URL)

Funding

BioExcel – Centre of Excellence for Biomolecular Research 675728
European Commission