On Fri, Apr 14, 2017 at 3:18 PM, Thakur, Abhishek <axt651.miami.edu> wrote:
> Can you suggest me how to tell tleap to make it a coordinate bond. I am
> afraid as by giving a bond command it will form hydrogen bond with it.
>
You need to use 'bond' command between S and a carbon atom. If your S atom
has a hydrogen atom, you need to throw it away. I am not sure, but I think
it is possible to do it in leap.
Good luck!
---
Marcos S.A.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Apr 14 2017 - 12:30:03 PDT
