leila karami wrote:
Hi gromacs users
I did simulation of pr-dna by gromacs. I want to obtain diffusion
coefficent of pr to dna. I raed manual (g_msd) in which there are
diffusion coefficent only for 1 and 2 dimension as follows respectively :
-type : Compute diffusion coefficient in one direction: no, x, y or z
-lateral : Calculate the lateral diffusion in a plane perpendicular to:
no, x, y or z
how to use g_msd for calculation of diffusion coeffcient in 3D.
Do not use either of these flags.
-Justin
Thanks a lot in advance.
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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