[gmx-users] New force fields
David van der Spoel
spoel at xray.bmc.uu.se
Thu May 2 22:45:56 CEST 2002
On Thu, 2 May 2002, Erik Lindahl wrote:
>Are there other features used by some force fields? Some ancient
>versions of AMBER used to need 10-12 interactions, but I don't think
>anybody is using it now...
Yes, AutoDock uses it... They basically have an Amber force field with 4
(four) atomtypes: C, N, O, H. And it works!
But the problem with them is that they are nonbonded interactions...
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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