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
-endfit.
-Justin
--
========================================
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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