Science Blog of Dr. Yuan分享 http://blog.sciencenet.cn/u/albumns This blog is mainly on Molecular molecular modelling and simulations

博文

MetadynView, an online tool for metaMD analysis

已有 514 次阅读 2017-11-6 00:12 |个人分类:科研笔记|系统分类:科研笔记

MetadynView is a web tool for visualization and analysis of free energy surfaces calculated by metadynamics method, in particular by Plumed package. You can try the original version or the new version (SVG output). Details on Metadyn View and its algorithm can be found in P. Hošek & V. Spiwok: Comput. Phys. Commun198, 222-229 (2016).


In the latest version, users can export the online results to a scalable .SVG file. More interestingly, users can also play a movie for the FES sampling pathway.  

Website: http://metadyn.vscht.cz/

Online analysis: http://metadyn.vscht.cz/metadyn_view2/public_html/index.html#

User manual: http://metadyn.vscht.cz/?q=node/4




http://blog.sciencenet.cn/blog-355217-1083955.html

上一篇:A postodoc position in EPFL, Swtizerland
下一篇:Computational modelling identified the real catalytic site

0

该博文允许注册用户评论 请点击登录 评论 (0 个评论)

数据加载中...
扫一扫,分享此博文

全部作者的精选博文

Archiver|手机版|科学网 ( 京ICP备14006957 )

GMT+8, 2018-6-18 21:06

Powered by ScienceNet.cn

Copyright © 2007-2017 中国科学报社

返回顶部