[gmx-users] simulated anealing

[kiana moghaddam]

Dear
GMX Users

I
want to run NVT equilibration and NPT equilibration (after
NVT) for DNA-ligand interaction and want to increase temperature
gradually i.e.
from
0 to 300 K over a 100 ps, but i have some questions about this process:
when
I use simulated anealing in NVT as following
annealing_time         
=  0  15  30  45   60  80  100
annealing_temp          = 0
 50 100 150 200 250 300
I
don't know how to change gen_vel.


 > gen_vel                                 = yes
 

> gen-seed                 = 173529
is
correct? or the gen_vel =No is correct?

(After NVT equilibration, I want to equilibrate system during NPT condition at
300 K.)
 
 
Please
help me
Best
Regards