[gmx-users] Position restricted md

[Yang Ye]

Doing position-restrained simulation is useful to equilibrate solvent and ions. If you would like to study the dynamics of the peptide, PRMD doesn't help. PRMD is usually performed before production run for a duration from several hundred ps to 1ns.
 
Regards,
Yang Ye 



----- Original Message ----
From: sarbani chattopadhyay <sarbani_c84 at rediffmail.com>
To: gmx-users at gromacs.org
Sent: Tuesday, October 23, 2007 1:35:14 PM
Subject: [gmx-users] Position restricted md


  
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.

THANKS  in advance.
                                                                                    Sarbani 






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