[gmx-users] Suggestions awaited

Dear all, I wanted to calculate the angle joining the normal to the tyrosine ring and the vector joining the succeeding residue. I tried using the g_sgangle option in gromacs to calculate the angle between these 2 groups, and the distance between the 2 grps but as soon as I selected the first grp

[gmx-users] g_sgangle---facing problem using this option

. Please help, Richa Richa Taimni M.Sc(Final)Bioinformatics Banasthali Vidyapith Rajasthan __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com ___ gmx

[gmx-users] can we calculate chemical shifts

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

[gmx-users] How 2 remove these warnings

Hi, I am getting these two warnings while doing the pdb2gmx steps.Please give some suggestions on this problem. WARNING 1 [file "AFA.top", line 350]: No default Ryckaert-Bell. types, using zeroes WARNING 2 [file "AFA.top", line 455]: No default Ryckaert-Bell. types, using zeroes Excluding 3