[AMBER] md distorted

From: MYRIAN TORRES RICO <myriam.torres.iiq.csic.es>
Date: Mon, 23 Sep 2019 12:54:20 +0200

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

DISTORTED.jpg
(image/jpeg attachment: DISTORTED.jpg)

Received on Mon Sep 23 2019 - 04:00:02 PDT
Custom Search