I understand.Thank you for the comparative analysis.
sarbani
On Tue, 23 Oct 2007 Mark Abraham wrote :
>sarbani chattopadhyay wrote:
>> yes , I had gone through the manual, but is that all? I mean to say that
>> even if the
protein
>>suffers from high solvent forces (though the energy minimisation can be done
>>over the
>>whole system ie protein in solvated state) that may not pose much of a
>>problem , in case
we
>>simulate for sufficiently long time.
>> I am sorry if I understood wrong.
>
>What will converge to an equilibrium ensemble faster, a structure that started
>off physical,
had its solvent relaxed while it was under position restraints, and then
relaxed itself without
the constraints, or one that was kicked around violently by the initial solvent?
>
>Mark
>_______________________________________________
>gmx-users mailing list [email protected]
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please search the archive at http://www.gromacs.org/search before posting!
>Please don't post (un)subscribe requests to the list. Use the www interface or
>send it to
[EMAIL PROTECTED]
>Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
