[gmx-users] Re: change in secondary structure

Justin A. Lemkul jalemkul at vt.edu
Wed Feb 2 14:27:47 CET 2011

bharat gupta wrote:
> Thanks for such a detailed reply to my queries .. But conducting a 50ns 
> simulation will take time ... so i want to conduct independent 
> simulation and for that I searched some threads but was not able to get 
> the proper description and method... if u can guide me through an 
> appropriate link .. it would be much more helpful .. 

Each simulation begins with the assignment of random velocities (gen_vel = yes). 
  Specify different values of gen_seed (or leave it set to -1) to get different 
velocities each time.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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