[gmx-users] How to use different potential interaction in gromacs
qiwenpeng at sinap.ac.cn
Thu Mar 29 04:15:16 CEST 2007
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 !!!
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users