> I have seen the tutorial for simulation of DNA in implicit solvant
Are you using implicit solvent?
> 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
You can minimize the whole system in one go.
> 2)heating (now which I will not do) and equilibration
> at tempi = 300.0, temp0 = 300.0
The tutorials should give examples of heating (and for explicit
solvent, volume equilibration).
Bill
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Received on Sat Jun 19 2010 - 18:30:03 PDT
