[gmx-users] SPC model for water, is suitable for amber03 force field?

[Justin A. Lemkul]

shahab shariati wrote:
> Hi all
>  
> How I can obtain tip3p.itp and tip3p.gro files for amber force field to 
> use them in gromacs program for simulation?

You do not need a tip3p.gro, see here:

http://www.gromacs.org/Documentation/How-tos/TIP3P_coordinate_file

>  
> there are tip3p.itp and tip3p.gro files in top folder of gromacs which 
> are suitable for gromacs force fields no amber force fields.
> 

AMBER-specific TIP3P parameter files (and some others) come with the ffamber ports:

http://chemistry.csulb.edu/ffamber/

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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