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https://www.researchgate.net/post/Warning_pressure_scaling_more_than_1-GROMACS_Can_anyone_help
leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 WARNING 1 [file npt.mdp]: Using Berendsen pressure coupling invalidates the true ensemble for the
NOTE 3 [file md_pull.mdp]: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting nstcomm to nstcalcenergy NOTE 4 [file md_pull.mdp]: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 Setting the LD random seed to 1032180820 Generated 165 of the 1596 non-bonded parameter combinations Excluding 3 bonded ...Author: Justin Lemkul
http://kangsgo.com/694.html
leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 ...
https://github.com/gromacs/gromacs/blob/master/src/gromacs/gmxpreprocess/readir.cpp
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use Gerrit for code review and Redmine for issue tracking. - gromacs/gromacs
https://redmine.gromacs.org/attachments/1908/grompp_sim.txt
leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 41: 42: Setting the LD random seed to 917544437 43: Generated 2556 of the 2556 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 45: Generated 2556 of the 2556 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type ...
https://www.researchgate.net/profile/Urszula_Uciechowska-Kaczmarzyk
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https://www.jianshu.com/p/0462100c1701
#分子模拟#Gromacs 5.1.2做拉伸动力学的几点笔记. 因为后期实验需要用到，最近几天在学习拉伸动力学模拟，虽然拉伸动力学教程为5.X版本，但是自5.1版本对于pull模块还是有较大的变化，这里和大家分享一下其中遇到的问题和我自己的解决方法。
http://www.prisontalk.com/forums/showthread.php?t=7438
Feb 03, 2004 · i was not surprised at what i had read, i know they treat prisioners anyway they want to and get away with it everyday. it is a disgrace to our flag, country and our motto "land of the free". our justice system does not care and never have as far as i am concerned.
https://scicomp.stackexchange.com/tags/molecular-dynamics/hot
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http://users.stat.ufl.edu/~jhobert/BayesComp2020/Conf_Website/
About Bayes Comp. Bayes Comp is a biennial conference sponsored by the ISBA section of the same name. The conference and the section both aim to promote original research into computational methods for inference and decision making and to encourage the use of frontier computational tools among practitioners, the development of adapted software, languages, platforms, and dedicated machines, …
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