[gmx-users] how to use gaff in gromacs

[Justin A. Lemkul]

fancy2012 wrote:
> Dear gmx users,
> In gromacs-4.5.1, we can use amber force field now, but if I want to 
> gaff, a force field of small molecules, How should I do? Could someone 
> give me some suggestion?

If you have an AMBER topology, there are scripts on the GROMACS website to 
convert it to the proper format.  You might also check out ACPYPE:

http://code.google.com/p/acpype/

-Justin

> Thanks in advance!
> All the best,
> fancy
> 
> 
> ------------------------------------------------------------------------
> 全国最低价，天天在家冲照片，24小时发货上门！ 
> <http://yxp.163.com/photo/ep.html?sss=fromyx0911>
> 

-- 
========================================

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

========================================