potential of mean force的计算原理 平均力势能( Potential of Mean Force,PMF)的计算原理是通过对体系的平均力势能作平均场近似而得到的。 具体来说,PMF方法分析了纳米颗粒在液体中的热泳反向机理,并得到液体中悬浮纳米颗粒出现反向热泳的判据为颗粒表面的平均力势由负转正。此时,界面处的自由能势垒较高,颗粒...
Potential ofMean Force（PMF）可用于描述自由能级图（free energy landscape）。沿坐标的PMF是根据平均...
Potential of Mean Force (PMF)Calculations using the Weighted Histogram Analysis Method(WHAM) Raymond Atta-Fynn,Eric J.Bylaska, and Wibe A.de Jong Paci,c Northwest National Laboratory,Richland WA 99352C o nt e nt s 1 Notations 3 2 WHAMequations 3 3 Using the WHAM equations in computer ...
Rating: 2 2 votes What does PMF mean?PMF means Potential Of Mean Force (also Probable Maximum Flood and 270 more) Rating: 1 1 vote What is the abbreviation for Potential Of Mean Force?Potential Of Mean Force is abbreviated as PMF (also POMF)Share...
又称作Knowledge-based potentials,最早是PDB中用于分析蛋白质结构的打分函数。该方法最早可以追溯到1985年的quasi-chemical approximation,之后又发展了potential of mean force (PMF)方法。 https://pubs.acs.org/doi/pdf/10.1021/ma00145a039 https://doi.org/10.1016%2Fs0022-2836%2805%2980269-4 ...
d. a. statistical mechanics. 维基百科也有很简短的解释 http:///wiki/potential_of_mean_forcegoogle...
In this work, the many-body effect in potential of mean force (PMF) between like-charged nanoparticles in various salt solutions has been comprehensively examined by Monte Carlo simulation and the nonlinear Poisson-Boltzmann theory. Our calculations show that, at high 1:1 salt, the PMF is ...
要用Lammps里面的colvars模块，具体看Lammps手册 constrained molecular dynamics早就过时了，现在根本没人用...
ai play with them happily 我愉快地使用与他们[translate] a价格是按每卷来算 The price is calculated according to each volume[translate] apotential of mean force (PMF) from trajectories obtained with SMD simulations. 卑鄙力量(PMF)潜力从弹道获得以SMD模仿。[translate]...
比如研究两个对象的相互作用，你测到的不是二者之间直接的相互作用，而是系综平均之后的相互作用。比如说...