[gmx-users] about normal mode analysis

Dear users, I'm trying to do NMA of a structure. When I minimize a structure: Polak-Ribiere Conjugate Gradients converged to Fmax 10 in 3742 steps Potential Energy = -5.2965824e+04 Maximum force = 8.0245171e+00 on atom 3038 Norm of force = 1.3228445e+00 When I try to perform a

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

Re: [gmx-users] about normal mode analysis

On 2/6/14, 9:27 AM, Gmail2 wrote: Double precision result: http://comments.gmane.org/gmane.science.biology.gromacs.user/62746 I assume you mean to say that you're having the same issue as described in that thread? You'll note that Michael mentions the existence of a bug, which has since