[gmx-users] How to use different potential interaction in gromacs

齐文鹏 qiwenpeng at sinap.ac.cn
Thu Mar 29 04:15:16 CEST 2007

Dear Everyone,
I want to simulate the Au (gold) nanoparticle and DNA single strands in a liquid.
But the interaction potential of Au- H2O is very different from the style which gromacs uses.
U = D[exp(-2a(r - r0)) - 2 exp(a(r - r0))]
How can I do if I want to use this potential in gromacs.
Thank you very much !!!
Wen-Peng Qi
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