[gmx-users] About g_msd. I want to plot the curve from 0.01ps.

Justin A. Lemkul jalemkul at vt.edu
Tue Jan 10 15:08:24 CET 2012

Kiwoong Kim wrote:
> Hi
> I have been learning how to use gromacs owing to your advice.
> I have simple question on g_msd.
> I tried to plot MSD curve using g_msd. I want to deeply investigate the 
> MSD curve from 0.01ps to the last of simulation (my case, 1ns).
> However, g_msd always produce the MSD curve starting from 1ps. 
> How can I adjust the instance of starting time of MSD curve (for 
> example, 0.01ps - 1ns)??

Please read g_msd -h, with particular attention to the section on -beginfit and 



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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