RE: AMBER: Regarding ff03 forcefield

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 25 Jul 2008 01:16:57 -0700

Hi Reena,

 

It is all atom - that is all H's are explicitly included.

 

In Amber 9 and 10 there are two versions, ff03 and ff03ua. The ua stands for
united atom. This was not present in AMBER 8 if I recall.

 

In leap you use leaprc.ff03 for the all atom version and leaprc.ff03ua for
the united atom version.

 

Good luck,

Ross

 

From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Reena .....
Sent: Friday, July 25, 2008 12:25 AM
To: amber.scripps.edu
Subject: AMBER: Regarding ff03 forcefield

 

Hi Users,

I wanted to clarifiy as to whether the ff03 forcefield with Amber 8 version
is an all atom or united atom FF. I was checking the amber 9 manual and got
confused so just wanted to confirm.

thanks
Reena



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Received on Sun Jul 27 2008 - 06:07:43 PDT
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