Re: [gmx-users] Re, problem with EM

2012-11-20 Thread Justin Lemkul
On 11/20/12 11:30 AM, Ali Alizadeh wrote: Dear All users I want my energy minimization of my system is converged to considered value, when i do it, It is converged because it reachs to Fmax and i see this message : Steepest Descents converged to Fmax 10 in 31702 steps Potential Energy

Re: [gmx-users] Re, problem with EM

2012-11-20 Thread Justin Lemkul
On 11/20/12 12:17 PM, Ali Alizadeh wrote: Dear Justin Thank you for your reply, 1- In the first plot, unit of y axis is kj/mol, and you said above i should use -nmol, i confused, Why is the unit of y axis kj/mol without using -nmol? Because that's the energy unit Gromacs

Re: [gmx-users] Re,problem with EM

2012-11-20 Thread Justin Lemkul
On 11/20/12 1:04 PM, Ali Alizadeh wrote: Dear Justin Thank you for the quick reply Dear All users I want my energy minimization of my system is converged to considered value, when i do it, It is converged because it reachs to Fmax and i see this message : Steepest Descents converged to