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标题: 求助磷脂双分子层的问题 [打印本页]

作者
Author:
gmx-xx    时间: 2021-3-19 19:10
标题: 求助磷脂双分子层的问题
在gmx grompp的时候,形成这样两个提示,请问大家是怎么回事啊,没有看懂。chain A,B是指磷脂双分子层的两条链
NOTE 1 [file drw.top, line 65]:

In moleculetype 'Other_chain_A' 4736 atoms are not bound by a potential
  or constraint to any other atom in the same moleculetype. Although
  technically this might not cause issues in a simulation, this often means
  that the user forgot to add a bond/potential/constraint or put multiple
  molecules in the same moleculetype definition by mistake. Run with -v to
  get information for each atom.

[file drw.top, line 65]:

  In moleculetype 'Other_chain_B' 4736 atoms are not bound by a potential
  or constraint to any other atom in the same moleculetype. Although
  technically this might not cause issues in a simulation, this often means
  that the user forgot to add a bond/potential/constraint or put multiple
  molecules in the same moleculetype definition by mistake. Run with -v to
  get information for each atom.



作者
Author:
sobereva    时间: 2021-3-19 19:12
明显拓扑文件有问题。把拓扑文件上传别人才好判断




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