subject:"\[gmx\-users\] NMA Fatal Error"

Re: [gmx-users] NMA Fatal Error

2012-11-16 Thread Justin Lemkul

On 11/16/12 3:43 PM, Yao Yao wrote: Hi Gmxers, I am doing a protein NMA with the mdp file like, === define = -DEFLEXIBLE constraints = none integrator = nm ; emtol = 0.1 emstep = 0.1 nsteps = 4000 ; M

[gmx-users] NMA Fatal Error

2012-11-16 Thread Yao Yao

Hi Gmxers, I am doing a protein NMA with the mdp file like, === define = -DEFLEXIBLE constraints = none integrator = nm ; emtol = 0.1 emstep = 0.1 nsteps = 4000 ; Maximum number of (minimization) steps to