Is this where I should be looking: http://repo.or.cz/gromacs.git/history/HEAD:/share/top/amber99sb.ff/ffnonbonded.itp If so, there doesn’t seem to be much information there.
Best, Irem On Oct 4, 2016, at 9:08 AM, Mark Abraham <[email protected]<mailto:[email protected]>> wrote: Hi, Looking back through the git history is a useful way to start. Mark On Tue, Oct 4, 2016 at 2:59 PM Irem Altan <[email protected]<mailto:[email protected]>> wrote: Anyone have an idea where the ion parameters came from? Is there a reference, etc.? It’s not documented anywhere as far as I can see. Best, Irem On Oct 3, 2016, at 3:40 PM, Irem Altan <[email protected]<mailto:[email protected]>> wrote: Hi, I was wondering, where do the Lennard Jones parameters for ions come from in the amber99sb force fields ported in gromacs? Best, Irem -- Gromacs Users mailing list * Please search the archive at https://urldefense.proofpoint.com/v2/url?u=http-3A__www.gromacs.org_Support_Mailing-5FLists_GMX-2DUsers-5FList&d=CwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=3hM8yFNkl4KSZwv1EKX3DgUpRn8thuYiK429DRvAPNM&s=0uveLWXSq2TELajhMMSgDP-EA6ORBth62wdIRsBCBsI&e= before posting! * Can't post? Read https://urldefense.proofpoint.com/v2/url?u=http-3A__www.gromacs.org_Support_Mailing-5FLists&d=CwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=3hM8yFNkl4KSZwv1EKX3DgUpRn8thuYiK429DRvAPNM&s=gHdIn4vVvjhk48WsyUMYQoPjxaGqJSEuYblwYOX4BMA&e= * For (un)subscribe requests visit https://urldefense.proofpoint.com/v2/url?u=https-3A__maillist.sys.kth.se_mailman_listinfo_gromacs.org-5Fgmx-2Dusers&d=CwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=3hM8yFNkl4KSZwv1EKX3DgUpRn8thuYiK429DRvAPNM&s=tqIAbjk4zd17W5s7-avYiJRe2cRli2zbAgF2w9Ly_qk&e= or send a mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at https://urldefense.proofpoint.com/v2/url?u=http-3A__www.gromacs.org_Support_Mailing-5FLists_GMX-2DUsers-5FList&d=CwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=YL7IYBEutwm9RxhWNTqGoqvp-gc32pbVNAHrIR-_Ft8&s=PPsPf-NB_-P6R2fhnq1ePu2ZvK4Ju53sSuY-AJ3da7o&e= before posting! * Can't post? Read https://urldefense.proofpoint.com/v2/url?u=http-3A__www.gromacs.org_Support_Mailing-5FLists&d=CwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=YL7IYBEutwm9RxhWNTqGoqvp-gc32pbVNAHrIR-_Ft8&s=95NnIlGp0Ffm8Vd_UKfjEJnWLaue8UWoDd1AHVgkj4c&e= * For (un)subscribe requests visit https://urldefense.proofpoint.com/v2/url?u=https-3A__maillist.sys.kth.se_mailman_listinfo_gromacs.org-5Fgmx-2Dusers&d=CwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=YL7IYBEutwm9RxhWNTqGoqvp-gc32pbVNAHrIR-_Ft8&s=-3zE2VLm7UH0puHRJGGPR1FdY464tKocRpUWUHDlLJ8&e= or send a mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at https://urldefense.proofpoint.com/v2/url?u=http-3A__www.gromacs.org_Support_Mailing-5FLists_GMX-2DUsers-5FList&d=CwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=YL7IYBEutwm9RxhWNTqGoqvp-gc32pbVNAHrIR-_Ft8&s=PPsPf-NB_-P6R2fhnq1ePu2ZvK4Ju53sSuY-AJ3da7o&e= before posting! * Can't post? Read https://urldefense.proofpoint.com/v2/url?u=http-3A__www.gromacs.org_Support_Mailing-5FLists&d=CwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=YL7IYBEutwm9RxhWNTqGoqvp-gc32pbVNAHrIR-_Ft8&s=95NnIlGp0Ffm8Vd_UKfjEJnWLaue8UWoDd1AHVgkj4c&e= * For (un)subscribe requests visit https://urldefense.proofpoint.com/v2/url?u=https-3A__maillist.sys.kth.se_mailman_listinfo_gromacs.org-5Fgmx-2Dusers&d=CwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=r1Wl_e-3DAvYeqhtCRi2Mbok8HBpo_RH4ll0E7Hffr4&m=YL7IYBEutwm9RxhWNTqGoqvp-gc32pbVNAHrIR-_Ft8&s=-3zE2VLm7UH0puHRJGGPR1FdY464tKocRpUWUHDlLJ8&e= or send a mail to [email protected]<mailto:[email protected]>. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
