Hello All
I have a confusion about explicit solvent and implicit solvent MD simulation.
As I have learned till now that during explicit MD simulation in heating step
apply of small positional restraint on backbone to avoid any wired changes in
structure
during heating from 0-300K.
I have to do MD simulation using implicit solvent condition.
When I go through AMBER basic tutorial of DNA MD simulation,in explicit solvent
positional
restraint has applied on DNA but in case of implicit there is no any positional
restraint on DNA.
My question is in case of explicit solvent when heat up the system there is
requirement of
positional restraint.
So will not be requirement of positional restraint on system when using implicit
solvent during heating?
With regard
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Wed May 11 2011 - 04:30:03 PDT
