[gmx-users] position restrain on a curved surface

Mark Abraham mark.j.abraham at gmail.com
Wed Sep 14 20:14:39 CEST 2016


Hi,

There's a variation upon the pull code called enforced rotation that may be
useful. See the manual.

Mark

On Wed, 14 Sep 2016 18:53 Mohsen Ramezanpour <ramezanpour.mohsen at gmail.com>
wrote:

> Dear gromacs users,
>
> I was wondering what would be a good strategy to force atoms to move on an
> arbitrary curved surface?
>
> An example could be forcing lipid molecules to freely move on x-y plane
> while their z coordinate is fixed. This is easy because curvature is zero
> here. How about the curved surface?
>
>
> Thanks for your comments in advance
>
> Cheers
> Mohsen
>
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