[gmx-users] Looking for FF parameters for bivalent metals and oxoguanine

[Ebert Maximilian]

Hi Timofey,

did you check http://ambermd.org/tutorials/basic/tutorial4b/ or https://code.google.com/p/acpype/wiki/TutorialAcpype4Gromacs

cheers,

Max

On Jun 3, 2015, at 12:24 AM, Timofey Tyugashev <tyugashev at niboch.nsc.ru<mailto:tyugashev at niboch.nsc.ru>> wrote:

I'm investigating several protein-DNA systems with AMBER 99SB force field . Some of them involve 8-oxoG lesions and metal-dependent enzymes.
Is there any reliable calculated parameters for them or any reliable and reasonably quick way to derive them?
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