Re: [AMBER] molecule out box and correct hbond analysis

From: Daniel Roe <>
Date: Thu, 27 Oct 2011 10:15:47 -0400


Currently the hbond routine does not use imaging. Ideally you would
use the center and imaging commands to reorient your molecules of
interest so that imaging is not a factor prior to using the hbond
command. Can you please post a little more information about your
system and how you tried to re-image it?


On Thu, Oct 27, 2011 at 4:27 AM, mirage . <> wrote:
> Hi Amber users,
>  i am using  different option to reimag my molecules but in some case a part of one molecule is out box ? How to do a correct hbound analysis in this caseThanks
> _______________________________________________
> AMBER mailing list

Daniel R. Roe, PhD
Postdoctoral Associate
BioMaPS Institute, Rutgers University
610 Taylor Road
Piscataway, NJ   08854
AMBER mailing list
Received on Thu Oct 27 2011 - 07:30:02 PDT
Custom Search