Re: [gmx-users] CHARMM36 force field available for GROMACS

Dear Justin, Did you provide/add the parameters for Zn bound to OH- (hydroxide ion) and Zn bound to H2O (water) in updated CHARMM36 ff? For example, this state is important for some structures. E.g. Carbonic anhydrase. Ahmet Yıldırım 18 Mar 2014 tarihinde 18:44 saatinde, Justin Lemkul

Re: [gmx-users] about normal mode analysis

Double precision result: http://comments.gmane.org/gmane.science.biology.gromacs.user/62746 Ahmet Yıldırım 6 Şub 2014 tarihinde 15:39 saatinde, Justin Lemkul jalem...@vt.edu şunları yazdı: On 2/6/14, 8:25 AM, Ahmet yıldırım wrote: Dear users, I'm trying to do NMA of a structure. When