[gmx-users] Position restricted md
sarbani_c84 at rediffmail.com
Tue Oct 23 09:47:09 CEST 2007
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.
On Tue, 23 Oct 2007 Mark Abraham wrote :
>sarbani chattopadhyay wrote:
>> I am new to the field of MD.I want to know what is the effectivity of position restricted
>>ie. where is the advantage of doing Position restricted MD.I have a small peptide of 3
>>reidues.Is it necessary to do a Position restricted MD. What difference will it make?
>> I may sound very unintelligent but any suggestions are welcome.
>Have you checked out the section on position restraints in the GROMACS manual?
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