[gmx-users] atom freezing

mah maz mahmaz71 at gmail.com
Thu Jan 1 19:37:35 CET 2015


Thanks Justin! I tried the freezegrps and freezedim but it needed the name
of the groups. As I said in my system only one type of atom is defined.
Should I put the desired atoms in a different group and freeze them? Any
other ways to call the atoms by their numbers?
Regars,
Mah

On Thu, Jan 1, 2015 at 9:06 PM, mah maz <mahmaz71 at gmail.com> wrote:

> Dear all,
>
> I want to have different situations for different atoms in my system. In
> the .mdp file how can I freez some of the atoms? ( I dont have residues in
> the system; 3 kinds of atoms are present just by one atom type name) Is it
> possible to assign different situations to some of the atoms by writing
> atom numbers?
>
> thank you!
>


More information about the gromacs.org_gmx-users mailing list