分子力

Experiments show that the molecular force of attraction and repulsion of the vector.

实验表明，分子力为吸引力和排斥力的矢量和。

The availability and accuracy of molecular force fields limit their application scope.

分子力学力场的适用性和准确性是制约分子模拟应用的瓶颈。

Molecular still exist between the interaction, known as molecular force.

分子之间还存在相互作用，称为分子力。

The computational software in the fields of computational chemistry and materials science, and the molecular force fields which have been employed in polymer systems, were presented.

介绍了用于计算化学和材料科学领域的计算软件，以及可用于高分子体系的分子力场。

In the r = 1s-t Office, gravity and repulsion are equal, molecular force is zero.

在r＝1s－t处，引力与斥力相等，分子力为零。

For example, by molecular beam experiment, two or three pairs of atoms or molecules to form the so-called van der Waals molecular studies reveal a lot about the nature of the molecular force.

例如通过分子束实验，对两三个原子或分子形成的所谓范德瓦尔斯分子的研究，揭示了许多有关分子力的性质。

When the molecular force field was used to treat solution systems, not considering the movement of electrons, in many force fields the chemical bonds between atoms must be confirmed to make sure that they can't be destroyed or formed in modeling procedure.

在用分子力场来处理溶液体系的时候由于没有考虑电子的运动，所以在很多力场中，原子间的化学键必须确定，以确保在模拟过程中化学键不会破坏或生成。

In this paper, the principle of molecular dynamics, and the category of molecular force field, and the establishment of AMBER、OPLS and CHARMM force field are introduced.

本文介绍了分子动力学(molecular dynamics， MD)的基本原理，分子力场的种类，以及离子液体分子动力学模拟一般采用的AMBER、OPLS和CHARMM三种力场的构建形式。

Generating mechanism in accordance with the different molecular force can be divided into:( 1) The two elements have a very close proximity, when, according to their relative orientation, may attract or exclude each other.

按照产生机理之不同，分子力可分为：（1）两个有极分子相距很近时，按它们的相对取向，可能相互吸引或排斥。

However, none of current molecular mechanical force fields can exactly treat the polarization effects in protein-protein and protein-ligand binding, even for polarizable force fields.

然而，目前还没有任何一种分子力学力场能够处理蛋白质和蛋白质或者蛋白质和配体之间的极化效应。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。