Hello,
I have a 200ns trajectory of protein-water-urea mixture, saved at 2ps
interval. I want to calculate the angle distribution of water molecule
(<O-O-O angle distribution) like represented under Figure. 2 of the paper
'J. Phys. Chem. B, Vol. 114, No. 10, 2010' by Jana and Bagchi. They have
calculated the <O-O-O angle distribution at the minor, major groove also in
the bulk water. I want to calculate that angle distribution near the
helices region of the protein and at the bulk water. Could anyone please
provide me with the procedure that I should follow to execute that analysis?
Thanks in advance-
Soham
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.
