NVT 的个人整理

本文介绍了网络虚拟终端(NVT)的概念及其在TELNET协议中的应用。NVT由输出和输入设备组成,确保了不同终端间数据表示的一致性。TELNET利用NVT进行数据映射,并通过NVT命令协商确定高级特性。

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网络虚拟终端(NVT)

  NVT工作原理

  顾名思义,网络虚拟终端(NVT)是一种虚拟的终端设备,它被客户和服务

  器所采用,用来建立数据表示和解释的一致性。

  NVT的定义

  1)NVT的组成

  网络虚拟终端NVT包括两个部分:

  输出设备:输出远程数据,一般为显示器

  输入设备:本地数据输入

  2)在NVT上传输的数据格式

  在网络虚拟终端NVT上传输的数据采用8bit字节数据,其中

  最高位为0的字节:一般数据

  最高位为1的字节:用于NVT命令

  3)NVT在TELNET中的使用

  TELNET使用了一种对称的数据表示,当每个客户机发送数据时,把它的本地终端的字符表示影射到NVT的字符表示上,当接收数据时,又把NVT的表示映射到本地字符集合上。

  在通信开始时,通信双方都支持一个基本的NVT终端特性子集(只能区分何为数据,何为命令),以便在最低层次上通信,在这个基础上,双方通过NVT命令协商确定NVT的更高层次上的特性,实现对NVT功能的扩展。

  在TELNET中存在大量的子协议用于协商扩展基本的网络虚拟终端NVT的功能,由于终端类型的多样化,使得TELNET协议族变得庞大起来。

### Martini NVT Simulation Setup and Configuration In the context of performing a Martini coarse-grained (CG) molecular dynamics simulation under constant volume and temperature conditions, several key aspects must be considered to ensure accurate results. The following sections outline essential steps for setting up such simulations using GROMACS. #### Preparing System Topology Files For Martini CG models, specific topology files are required that define atom types, bond lengths, angles, dihedrals, improper torsions, virtual sites, exclusions, non-bonded interactions parameters, etc.[^1]. These can typically be found within official repositories provided by developers or community resources dedicated to maintaining these force fields. To prepare system topologies: - Ensure all necessary include statements point correctly towards appropriate `.itp` files. - Define molecule type definitions including residues present in your structure. - Specify connection between atoms through bonds/angles/dihedral terms as needed based on chemical connectivity. Example snippet from `topol.top` file might look like this: ```gmx #include "martini_v2.0.itp" #include "lipids_cholesterol.itp" [ molecules ] ; Compound Number DPPC 128 CHOL 32 WATER 5000 ``` #### Setting Up MDP Parameters The parameterization involves configuring an mdp input file which controls various settings during runtime execution. For NVT ensemble specifically important options include integrator choice (`integrator = md`), thermostat coupling method (`tcoupl = V-rescale`) along with its associated groups (`tau_t`, `ref_t`). Additionally, neighbor searching cutoffs should match those recommended by chosen FF version while ensuring periodic boundary condition handling is enabled appropriately via flags like `cutoff-scheme=Verlet`. An example excerpt could appear thusly: ```mdp title = Martini NVT equilibration define = integrator = sd ; stochastic dynamics initially nsteps = 50000 dt = 0.02 nstcomm = 1 nstxout-compressed = 5000 nstenergy = 500 nstlog = 500 continuation = no constraint_algorithm = lincs constraints = none lincs_iter = 1 lincs_order = 4 cutoff-scheme = Verlet ns_type = grid nstlist = 10 rcoulomb = 1.1 rvdw = 1.1 DispCorr = EnerPres Tcoupl = vrescale Pcoupl = No tau_t = 0.1 ref_t = 310 gen_vel = yes gen_temp = 310 gen_seed = -1 ``` #### Running Equilibrations & Production Runs Before starting production runs it's advisable conducting short preliminary stages aimed at relaxing initial configurations without applying any restraints gradually bringing systems closer toward equilibrium states before commencing actual sampling phase where meaningful statistics may begin accumulating over time series trajectories generated therefrom. Afterwards transition into longer duration productive phases characterized usually higher timesteps alongside more stringent thermostating protocols possibly involving additional barostatting mechanisms depending upon desired ensembles being targeted ultimately leading onto analysis post-processing tasks extracting insights derived out computed observables obtained throughout entire process spanned across multiple iterations potentially spanning days even weeks given complexity involved herein[^2].
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