So in that case can we assume when length of bond increases that may be the
breaking point of bond. Thanks
On Nov 24, 2017 8:53 AM, "Elvis Martis" <elvis.martis.bcp.edu.in> wrote:
> HI,
> Using Molecular Mechanics you cannot study bond formation or breaking.
>
> Best Regards
> Elvis Martis
> Mumbai, INDIA.
>
> ________________________________________
> From: Rana Rehan Khalid <rrkhalid.umich.edu>
> Sent: 24 November 2017 11:21
> To: AMBER Mailing List
> Subject: [AMBER] Can we study the bond breaking event through Md simulation
>
> Dear Amber users
>
> I am working on the system such a system in which heme bonded with NO on
> it's distal site while on it's proximal side it make a coordinate bond with
> histidine but we know through experimental data that when NO bind with heme
> distal site the proximal histidine heme bond break. I already ran the
> simulation on the system and I observed that bond length of proximal
> histidine increases but not break that bond. Kindly guide me.
> Thank you.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 23 2017 - 23:00:03 PST
