Re: [gmx-users] can we calculate chemical shifts

2006-05-16 Thread 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

Re: [gmx-users] can we calculate chemical shifts

2006-05-16 Thread David van der Spoel
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!?

[gmx-users] can we calculate chemical shifts

2006-05-16 Thread Richa taimni
Dear all, my question is that is it possible to calculate chemical shift with the help of gromacs software. Regards, Richa __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com