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zhiwei123456

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[求助] MS的discover模块如何施加静电场

网上仅有一条关于MS discover施加电场的说明，说是要编写btcl语句，即：
begin
  Electric_Field 298 0 0 1 1e+007 1e+009 3 1000 50 100 1 0
  dynamics time = 10000 execute frequency = 1000 command = {print archive}
  efield_off
网上找到了相关的解释：Electric_Field Temperature Field Component X(0) Y(0) Z Initial field 1e+007 V/m Final Field 1e+009 Specify the total number of poling stages. Default = 3. Specify the duration of the NVT simulations for each stage, in femtoseconds. Default = 1000.0 fs. Specify the number of times polarization is calculated during a stage. Polarization is also calculated before and after each stage. Default = 50. Specify the interval, in femtoseconds, over which to compute properties (for example, polarization) at the end of a stage. Default = 100 fs
但是仅此而已，具体该怎么设置？，这是加的静电场吗？怎么还有极化次数？如何使其在加有电场的情况下进行NPT或NVT动态模拟，能否提供一些BTCL案例学习一下？

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