[gmx-users] Position restricted md

[sarbani chattopadhyay]

  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.
                                                                                                Sarbani
                                                                                                     


On Tue, 23 Oct 2007 Mark Abraham wrote :
>sarbani chattopadhyay wrote:
>>  Hi,
>>   I am new to the field of MD.I want to know what is the effectivity of position restricted 
MD
>>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?
>
>Mark
>_______________________________________________
>gmx-users mailing list    gmx-users at gromacs.org
>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 
gmx-users-request at gromacs.org.
>Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071023/abf7373e/attachment.html>