[gmx-users] can we calculate chemical shifts

Patrick Fuchs Patrick.Fuchs at ebgm.jussieu.fr
Tue May 16 13:16:14 CEST 2006


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
>>
>> __________________________________________________
>> Do You Yahoo!?
>> Tired of spam?  Yahoo! Mail has the best spam protection around 
>> http://mail.yahoo.com _______________________________________________
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-users
>> Please don't post (un)subscribe requests to the list. Use the www 
>> interface or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>
>
-- 
_______________________________________________________
Patrick FUCHS
Equipe de Bioinformatique Genomique et Moleculaire
INSERM U726, Universite Paris 7
Case Courrier 7113
2, place Jussieu, 75251 Paris Cedex 05, FRANCE
Tel : +33 (0)1-44-27-77-16 - Fax : +33 (0)1-43-26-38-30
E-mail : Patrick.Fuchs at ebgm.jussieu.fr
Web Site: http://www.ebgm.jussieu.fr/~fuchs




More information about the gromacs.org_gmx-users mailing list