Quoting "Justin A. Lemkul" <jalem...@vt.edu>:
How does sigeps read the input file? I tried using sigeps to plot
LJ for different solutes in solvent and it gives me the same C6 and
C12 value, when it runs, which seems a weird.
c6 = 1.00000e-03, c12 = 1.00000e-06
sigma = 0.00000, epsilon = 0.00000
Van der Waals minimum at 0, V = nan
Is it the default?
nishap.pa...@utoronto.ca wrote:
Hello,
Is there an option to plot Lennard Jones potential? I tried
looking through the list and manual but I did not find any
suggestions on how I could plot a LJ 6-12 potential plot.
g_sigeps
-Justin
Nisha
--
========================================
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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