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I understand.Thank you for the comparative analysis.<BR>
sarbani<BR>
<BR>
<BR>
On Tue, 23 Oct 2007 Mark Abraham wrote :<BR>
>sarbani chattopadhyay wrote:<BR>
>> yes , I had gone through the manual, but is that all? I mean to say that even if the <BR>
protein<BR>
>>suffers from high solvent forces (though the energy minimisation can be done over the<BR>
>>whole system ie protein in solvated state) that may not pose much of a problem , in case <BR>
we<BR>
>>simulate for sufficiently long time.<BR>
>> I am sorry if I understood wrong.<BR>
><BR>
>What will converge to an equilibrium ensemble faster, a structure that started off physical, <BR>
had its solvent relaxed while it was under position restraints, and then relaxed itself without <BR>
the constraints, or one that was kicked around violently by the initial solvent?<BR>
><BR>
>Mark<BR>
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