[gmx-users] about itp file making

[Tsjerk Wassenaar]

Darn.., forgot the attachment.

>
> On Thu, Jul 3, 2008 at 1:16 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
>> Hi Anirban,
>>
>> Might it be of any use, here's a structure/topology of glucose based
>> on the GROMOS96 53a6 force field.
>>
>> Hope it helps,
>>
>> Tsjerk
>>
>> On Thu, Jul 3, 2008 at 12:44 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>>> 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.
>>>
>>> -Justin
>>>
>>> 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
>>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>>
>>> ========================================
>>>
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>>
>>
>>
>> --
>> Tsjerk A. Wassenaar, Ph.D.
>> Junior UD (post-doc)
>> Biomolecular NMR, Bijvoet Center
>> Utrecht University
>> Padualaan 8
>> 3584 CH Utrecht
>> The Netherlands
>> P: +31-30-2539931
>> F: +31-30-2537623
>>
>
>
>
> --
> Tsjerk A. Wassenaar, Ph.D.
> Junior UD (post-doc)
> Biomolecular NMR, Bijvoet Center
> Utrecht University
> Padualaan 8
> 3584 CH Utrecht
> The Netherlands
> P: +31-30-2539931
> F: +31-30-2537623
>



-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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