[gmx-users] Re: How to obtain the .gro and .top files for dendrimers

[wuxiao]

Dear gmx users,

  In order to get more direct help, some words need to be added to the question for the first time. 

  The dendrimer I want to study is just PAMAM, ethylenediamine (EDA) cored and amine surface poly(amidoamine). The pdb file for the PAMAM has assumed to be obtained, and I want to generate the  .gro and .top files from the pdb file using pdb2gmx. According to the advice, some files need to be modified to make it implement successfully. so my question becomes: How to modify those files? Thanks a lot.

 

Chaofu Wu, Dr.

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