Re: [AMBER] md distorted

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Mon, 23 Sep 2019 04:27:42 -0700

It looks like chirality flipped on the left-hand circled moiety? I'm not
a chemist.

Since it's GLYCAM, doesn't it have its own list? No one else here seems
awake, and folk in France should be up. :-) If in limbo, you could look
at their papers and mailing list traffic for clues.

Bill

On 9/23/19 3:54 AM, MYRIAN TORRES RICO wrote:
> Hi all,
>
> I have attached an image with the problem, the sugars appears with
> others conformations, in any cases boat or twist boat instead 4C1,
> which should be.
> I use GLYCAM as force field, and I don't created a new ligands.
>
> thanx in advance
>
>
> Myriam
>
>
>
> _______________________________________________
> 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 Mon Sep 23 2019 - 04:30:02 PDT
Custom Search