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
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
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
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