[gmx-users] reagarding polarisable force field in gromacs

Justin A. Lemkul jalemkul at vt.edu
Mon Dec 20 04:45:51 CET 2010



sreelakshmi ramesh wrote:
> Dear all,
>             can anyone tell me if there  are polarisable force field 
> available in gromacs.I need to use dang chang force field which is 
> polarisable force field for my work.I have used classical force fields 
> before can anyone help me out regaring this.
> 

Start by reading the manual.  All of the force fields included in Gromacs are 
described.  Polarizability is discussed in section 4.4, mostly in relation to 
water models.

-Justin

> 
> thanks in advance ,
> shree
> 

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

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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