[gmx-users] can we calculate chemical shifts

[Patrick Fuchs]

You may also try SHIFTCALC : http://www.shef.ac.uk/NMR/mainframepage.html

Patrick

David van der Spoel a écrit :

> Richa taimni wrote:
>
>> Dear all,
>> my question is that is it possible to calculate
>> chemical shift with the help of gromacs software.
>>
> You want to get the latest software from the David Case group at 
> Scripps for that.
>
>> Regards,
>> Richa
>>
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-- 
_______________________________________________________
Patrick FUCHS
Equipe de Bioinformatique Genomique et Moleculaire
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