Re: [AMBER] Creating a coordinate bond in Leap

From: Elvis Martis <elvis_bcp.elvismartis.in>
Date: Sat, 17 Oct 2020 10:40:59 +0530

HI
you would want to look at ZAFF tutorials to get this right
https://ambermd.org/tutorials/advanced/tutorial20/ZAFF.htm
Best Regards
Elvis



On Sat, 17 Oct 2020 at 10:26, Jenny 148 <jenny.rs140.gmail.com> wrote:

> Hi,
> I have a pdb structure, where in I have added a few zinc ions. These zinc
> ions are supposed to be coordinated with a few of the Amino acids. Since I
> added the ions by simple superimposition, the coordinate bond is not well
> defined and the ions are far from the expected position. Is there some way
> to change the position of these ions in xleap and create the coordinate
> bond required in this system? Thank you in advance.
> _______________________________________________
> 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 Fri Oct 16 2020 - 22:30:02 PDT
Custom Search