Ya I have seen the tutorial for simulation of DNA in implicit solvant
there is relaxing the DNA before MD simulation at tempi = 300.0, temp0 = 300.0.
But actualy in one of the reply of my mail I got about heating and equilibration
so thats why I have confusion.
For constant pH simulation I am donig the following step is it correct or not?
1)minimization:
a)minimization of hydrogen only (by mistake I my earlier mail I have wrote
that i hvae apply restraint on hydrogen).
b)minimization of whole system
2)heating (now which I will not do) and equilibration at tempi = 300.0, temp0 =
300.0
3)production run.
>> Now I have to euqilibrat it with heating 0 - 300K.
>
> Have you looked at the tutorials?
>
> Bill
>
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Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Sat Jun 19 2010 - 13:00:03 PDT
