[gmx-users] constraints on angle

[Tsjerk Wassenaar]

Hi Nilesh,

You can constrain the length between atoms A and C from a triple
A-B-C, provided AB and BC are also constraint.

Cheers,

Tsjerk



On Thu, Aug 18, 2011 at 5:22 PM, Nilesh Dhumal <ndhumal at andrew.cmu.edu> wrote:
> Hello,
>
> How can I put constraints on an angle.
>
> I added following lines in .top file
>
> [ constraints ]
>
> 2   8   18  3   109.5
>
> But its giving error.
>
>
> How can I put constraints on an angle.
>
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> I am using Gromacs 4.0.7 version.
>
>
> Thanks
>
> Nilesh
>
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands