AMBER Archive (2008)

Subject: Re: AMBER: Radial Distribution Function

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Mon Dec 15 2008 - 01:41:02 CST

On Fri, Dec 12, 2008 at 9:31 PM, prabhakar g wrote:
> Moldy is another molecular dynamics code that is use to do simulation,
> here is the link http://www.ccp5.ac.uk/moldy/moldy.html

That much I could figure without much help...

Please carefully read my message again to understand what I was really asking:

> On Wed, Dec 10, 2008 at 10:49 PM, Gustavo Seabra wrote:
>> It may be more helpful if you can tell us exactly what you mean by the
>> "moldy simulations". Do you have an example to show? How do you plot
>> the RDFs you are comparing to? Are you sure they use exactly the same
>> parameters as you are using in ptraj? (spacing, density, etc)?

Gustavo.
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