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

From: case <case.biomaps.rutgers.edu>
Date: Thu, 26 Aug 2010 07:38:04 -0400

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 26 2010 - 05:00:04 PDT
Custom Search