in leap:
loadoff ions08.lib
loadamberparams frcmod.ionsjc_XXXXXX
where you choose the below water model you desire.
frcmod.ionsjc_spce
frcmod.ionsjc_tip3p
frcmod.ionsjc_tip4pew
Cheers,
Dean
Dr. Dean Cuebas, Tai Chi For Me
Springfield, Missouri
email: info.taichiforme.com
web: http://taichiforme.com
Tel: 417-888-0479
...A tree as great as a man's embrace springs up from a small shoot;
A terrace nine stories high begins with a pile of earth;
A journey of a thousand miles starts under one's feet...
-Tao Te Ching, Chapt 64
> From: Ilyas Yildirim <i-yildirim.northwestern.edu>
> Reply-To: AMBER Mailing List <amber.ambermd.org>
> Date: Fri, 27 Aug 2010 15:08:41 -0500
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: [AMBER] Latest Na+ and Cl- ion parameters
>
> Dear amber users,
>
> Do you know what (if there is) the latest parameters for Na+ and Cl- ions
> are? Cheatham's group - I think - re-parameterized the vdw parameters for
> these ions. Is there a link I can use to download those parameters that
> will work with amber99 force field? Thanks.
>
> Ilyas Yildirim, Ph.D.
> -----------------------------------------------------------
> = Department of Chemistry - 2145 Sheridan Road =
> = Northwestern University - Evanston, IL 60208 =
> = Ryan Hall #4035 (Nano Building) - Ph.: (847)467-4986 =
> = http://www.pas.rochester.edu/~yildirim/ =
> -----------------------------------------------------------
>
>
> _______________________________________________
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Received on Fri Aug 27 2010 - 14:30:03 PDT
