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

Timofey Tyugashev tyugashev at niboch.nsc.ru
Wed Jun 3 07:21:51 CEST 2015


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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