AMBER Archive (2008)

Subject: Re: AMBER: Re: Force field parameter file for CNT

From: Andrey Semichaevsky (a_semichaevsky_at_yahoo.com)
Date: Fri Feb 29 2008 - 10:38:39 CST

Thank you, Dr. Case,
 
 I am working on MD simulations of carbon nanotube interactions with water, and, hopefully, leaprc.ff03 should be sufficient to simulate such a system.
 I am sure, the previous postings I read yesterday had some typos.
 
 Andrey
 

"David A. Case" <case_at_scripps.edu> wrote: On Thu, Feb 28, 2008, Andrey Semichaevsky wrote:
>
> I figured out from previous postings that leaprc.ff23 force field
> parameter file is required for the CNT simulations. However, I could
> not find it among the standard Amber 8 or Amber 9 files. Could you
> please let me know where I can it. Thanks.

There is no such beast. We won't release ff23 until 2023. :-)

I'm not sure what a "CNT simulation is", or why it would need a particular
force field. Be aware that not all "previous postings" are correct, or are
without typos. It could be that you are looking for leaprc.ff03, but that is
just a complete guess.

...dac

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