[gmx-users] RE: about itp file making

[Vitaly Chaban]

> Hi,
>      This is first time that I am sending mail so I do not know the where I
> have to send for proper answer of my question. To make .itp file of a sugar
> molecule, what should be the gromacs force field (96/opls)?
> regards
> Anirban

It's not critical what force field to use for making the own .itp of
any molecule. You may specify all parameters in .itp starting from the
[atomtypes]. It's even better for a novice because in that way you see all used parameters
at the same place.

-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban