[gmx-users] atom freezing
mahmaz71 at gmail.com
Thu Jan 1 19:49:25 CET 2015
Thank you for your help!
On Thu, Jan 1, 2015 at 10:07 PM, mah maz <mahmaz71 at gmail.com> wrote:
> 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?
> 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!
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