Re: [AMBER] how we increase the number of sugar molecule in a system

From: ros <ros.servidor.unam.mx>
Date: Thu, 26 Aug 2010 10:21:44 -0500

You can use DS Visualizer to copy/paste each disaccharide and manually place
them around. Then save to PDB and open in tleap to generate parmtop and crd
files.

Hope it helps!

Rodrigo.

2010/8/26 case <case.biomaps.rutgers.edu>

> On Thu, Aug 26, 2010, subrata paul wrote:
>
> > please give me some detail , how i simulate 10 disaccharide and 200
> water
> > molecule.
>
> Getting this set up is not something that Amber does with standard
> commands. You might check out packmol, but you will probably have to
> write your own program to create the initial structure (in PDB format).
>
> ....dac
>
>
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Received on Thu Aug 26 2010 - 08:30:03 PDT
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