Re: [gmx-users] distance restraints around Zn atom

2012-07-26 Thread Mark Abraham
On 26/07/2012 3:27 PM, Priyanka Shah wrote: Dear all, I want to apply distance restraint between Zn and its coordinating atoms. Zn is supposed to be in octahedral geometry. Zn is making coordination bond with O of hydroxyl group in ligand atom also. Even after several attempts, it seems like des

[gmx-users] distance restraints around Zn atom

2012-07-25 Thread Priyanka Shah
Dear all, I want to apply distance restraint between Zn and its coordinating atoms. Zn is supposed to be in octahedral geometry. Zn is making coordination bond with O of hydroxyl group in ligand atom also. Even after several attempts, it seems like destance restraint is not effective because after