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

wuxiao xiaowu759 at hotmail.com
Thu Jun 18 11:03:12 CEST 2009

Dear gmx users,

  On current, I plan to study a dendrimer (like PAMAM) using MD simulations available in GROMACS. As is well-known, the .gro and .top files are the start points for running MD simulations in GROMACS. However, the question how to obtain the files for dendrimers puzzles me too much, since the dendrimers have a complex dendritic structure. The mail-list and the manual seem not give helpful clues on doing it. Are there someone that have the experiences to do so? Could you share these experiences with us? Any suggesstion would be acknowledged greatly.


Chaofu Wu, Dr.



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