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

2015-06-03 Thread 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 tyugas...@niboch.nsc.rumailto:tyugas...@niboch.nsc.ru wrote: I'm investigating several

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

2015-06-02 Thread Timofey Tyugashev
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? -- Gromacs Users mailing list * Please