[gmx-users] Re: Relaxed frozen groups

[Zack Scholl]

>>Zack Scholl wrote:
>> Hi all-
>>
>> Is it possible to freeze a group of atoms only partially in a
>> direction?  For instance, could I freeze a group inside a box of a
>> definite size?
>>
>>

> Not by defining a box, as such, but you can freeze any subset of atoms with a
> suitable index file that defines the desired freezegrps.
>
> -Justin

I'm sorry, I didn't phrase my question clearly.
Can I set a group so that it can move - but only within a specified region?
Or, even better, possibly attach some group to a strong spring that
does not allow it to move very far, but does not completely restrict
the motion of the group?  I don't want to use freezegrps because it
would completely restrain the position of an atom- but I would like to
restrain the movements of the atom to within a defined region (e.g. a
small box).
Thanks,

Zack