[gmx-users] how to fixe distance

[Justin A. Lemkul]

najwa drici wrote:
> hi all
> 
> How can I fix some distances and angles in manner, that I can set up 
> long molecular dynamic simulation without structural lost?
> 

Read in the manual about distance, angle, and/or dihedral restraints.

If you're having problems with secondary structure changes, there are a whole 
host of reasons it might be erroneously happening, including, but not limited 
to, force field limitations and incorrect .mdp settings (i.e. incorrect use of a 
given force field).  So before you go trying to force a certain behavior, be 
sure you understand the reasons something might be happening.

-Justin

> cordially
> 
> DRICI nedjoua
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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