[gmx-users] about itp file making

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 3 12:44:21 CEST 2008

Use whichever one you think will best represent your molecule.  I think 
some work was done with sugars in G96 45a3, if I'm not mistaken.


anirban polley wrote:
> 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
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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