[gmx-users] Energy minimization

[Justin A. Lemkul]

bharat gupta wrote:
> 
> The potential energy graph is not coming parallel to x-axis is getting 
> down towars the x-axis .. normally it should be paralle to x-axis..
>  

Depending on how quickly the potential energy converges, it may or may not.  The 
most important outcome of EM is that you achieve reasonable values of the 
potential and the maximum force.

-Justin

> -- 
> Bharat
> Ph.D. Candidate
> Room No. : 7202A, 2nd Floor
> Biomolecular Engineering Laboratory
> Division of Chemical Engineering and Polymer Science
> Pusan National University
> Busan -609735
> South Korea
> Lab phone no. - +82-51-510-3680, +82-51-583-8343
> Mobile no. - 010-5818-3680
> E-mail : monu46010 at yahoo.com <mailto:monu46010 at yahoo.com>
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================