[gmx-users] query about itp file of sugar

[Mark Abraham]

SHREYA RAY CHAUDHURI wrote:
> I wnt to generate an itp file for carbihydrate which contains a 
> glucose,a galactose and a neuraminidase.I want to know which force fied 
> to use and the the linkages to use for the sugar.Please let me know the 
> way by which I can make the itp file for the sugar.Eagerly waiting for a 
> reply,

Deciding which force field to use is something you must do. Read the 
literature and consider what you hope the simulation to achieve and make 
a decision that seems sound in the context of what other people have 
been doing. You may find that your choice of force field will drive your 
choice of simulation software.

Mark