Re: [AMBER] Is there a way to maintain pdb coordinates into leap?

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 08 Oct 2014 11:48:12 -0700

No. The box is created with a corner at 0,0,0. You could translate it all back, but when you run md, it would get wrapped back into the original box.

Bill

<div>-------- Original message --------</div><div>From: Jonathan Gough <jonathan.d.gough.gmail.com> </div><div>Date:10/08/2014 11:14 AM (GMT-08:00) </div><div>To: AMBER Mailing List <amber.ambermd.org> </div><div>Subject: [AMBER] Is there a way to maintain pdb coordinates into leap? </div><div>
</div>Hi,

Is there a way to maintain the original coordinates from your PDB file
after you have imported your protein into leap and soaked it in a solvent
box?

Thanks,
Jonathan
_______________________________________________
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 Wed Oct 08 2014 - 12:00:03 PDT
Custom Search