[gmx-users] Re: Dihedral Constraints

[Justin A. Lemkul]

On 6/13/12 9:44 PM, bharat gupta wrote:
> Hi,
>
> I wanted to simulate a beta-hairpin but with the dihedral angle of the turn
> residues constrained as per my wish for eg phi angle should not 60 and psi
> should be 90. Can anybody tell me how can I do this ??
>

http://www.gromacs.org/Documentation/How-tos/Dihedral_Restraints

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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