[gmx-users] Flat-bottomed potential from user-defined reference

[Vitaly V. Chaban]

Gromacs uses restraints to keep molecules near their original positions.
See the manual.




On Tue, Nov 3, 2015 at 8:24 AM, Cosseddu, S.M. <s.m.cosseddu at vu.nl> wrote:

> Dear all,
>
> I am trying to apply a spherical flat-bottomed potential to maintain some
> molecules within a certain region. By default, GROMACS uses the initial
> coordinates as reference. Is there any way to provide different references?
>
> Many thanks
> Salvatore
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