Re: [gmx-users] doubt regarding order parameter calculated by gmx chi S2max and S2min

2018-12-24 Thread Dr Tushar Ranjan Moharana
Dear Mario, You can calculate NH order parameter (or any other bond order parameter) by following method https://extras.csc.fi/chem/courses/gmx2007/analysis/ However I was curious about gmx chi which was supposed to give dihedral order parameter. -- Gromacs Users mailing list * Please search the

Re: [gmx-users] doubt regarding order parameter calculated by gmx chi S2max and S2min

2018-12-19 Thread Mario Andres Rodriguez Pineda
Good afternon. How can i calculate th S2 order parameters??? Thanks. Em qua, 19 de dez de 2018 às 11:51, Dr Tushar Ranjan Moharana < tusharranjanmohar...@gmail.com> escreveu: > Hi Everyone, > > Is the S2max and S2min produced by gmx chi is same as Ss (slow order > parameter)and Sf (fast order p

[gmx-users] doubt regarding order parameter calculated by gmx chi S2max and S2min

2018-12-19 Thread Dr Tushar Ranjan Moharana
Hi Everyone, Is the S2max and S2min produced by gmx chi is same as Ss (slow order parameter)and Sf (fast order parameter) respectively. If not may anybody please explain what are those (S2max and S2min). Thanks a lot. Sincerely Tushar -- Gromacs Users mailing list * Please search the archive at