AMBER Archive (2008)

Subject: Re: AMBER: big molecule numbers

From: David A. Case (
Date: Thu Jul 24 2008 - 20:43:26 CDT

On Thu, Jul 24, 2008, Adrien Delmont wrote:

> my goal is to increase molecule numbers and run MD simulation
> with big molecule numbers like 500 or 1000 in Amber.

It's not clear what you mean here. Do you want to run a simulation with many
formamide molecules? Or a simulation with many different types of molecule?

The tutorials illustrate how to carry out "standard" simulations, so you
should be sure to look at those, and see how that match with what you want to

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