Re: [AMBER] simulation of small molecule with organic solvent and water

From: aneesh cna <aneeshcna.gmail.com>
Date: Fri, 3 Jun 2011 00:56:56 -0400

Hi Senthil,
You can use Packmol (http://www.ime.unicamp.br/~martinez/packmol/) for
setting up system for MD simulations.

All the best
Aneesh



On Thu, Jun 2, 2011 at 11:03 AM, Senthil Natesan <sen.natesan.yahoo.com>wrote:

> Hello Amber Users/Developers,
>
> Greetings. I want to run MD simulation of diacetyl phosphocholine along
> with 4
> acetic acid molecules in explicit water.
> I did run MD simulation without acetic acid successfully. Can anyone
> point me
> to any older posts ( I am not able to find any relevant posts).
> or tutorials (or papers) to accomplish the above task?
>
> thanks in advance,
>
> Senthil Natesan
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Received on Thu Jun 02 2011 - 22:00:04 PDT
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