Science Blog of Dr. Yuan分享 This blog is mainly on Molecular molecular modelling and simulations


Amber18 is now available

已有 3732 次阅读 2018-4-19 04:08 |个人分类:科研笔记|系统分类:论文交流

The Amber suite version 18 is now released (on April 17, 2018). 

The Amber18 package builds on AmberTools18 by adding the pmemd program, which resembles the sander (molecular dynamics) code in AmberTools, but provides (much) better performance on multiple CPUs, and dramatic speed improvements on GPUs.

Major new features include:

  • Free energy calculations on GPUs

  • GPU support for 12-6-4 ion potentials

  • Domain decomposition for CPU-parallelism

  • Nudged elastic band calculations for pmemd (CPU and partial GPU implementation)

  • Constant redox potential calculations, to supplement constant pH simulations

  • Support and significant performance improvements for the latest Maxwell, Pascal and Volta GPUs from NVIDIA.

  • New pmemd.gem code for advanced force fields, including AMOEBA

To order Amber 18 package:

To obtain AmberTools 18 for free:

上一篇:Opportunities and Challenges of a multi-scale cell model
下一篇:A postdoc position in GPCR modelling
收藏 IP: 178.83.40.*| 热度|


该博文允许注册用户评论 请点击登录 评论 (0 个评论)


Archiver|手机版|科学网 ( 京ICP备07017567号-12 )

GMT+8, 2023-3-20 17:29

Powered by

Copyright © 2007- 中国科学报社