Nilesh Dhumal wrote:
Hello Justin,
I am doing solvation of glucose in ionic liquids. I want to show that
glucose in surrounded by cation by ploting the iso-surface.
Becuase of this I am using g_sdf. THe out put file is in .plt file. Can I
get use gassview to plot the iso-surface.
I have no idea what this is. The help information says this file is for
gOpenMol.
Do you think still I can use g_spatial to get the *.cub file.
Read the first line of g_spatial -h.
-Justin
Nilesh
On Tue, May 11, 2010 1:42 pm, Justin A. Lemkul wrote:
Nilesh Dhumal wrote:
Hello,
I am trying to calculate spatial distribution function (SDF) for my
system. Can I genrate the *.cube file or gaussian format file using
sdf?
I want to use gassview or molden software to plot.
Have you tried g_spatial -h? I think you will find what you're looking
for.
-Justin
Thanks
Nilesh
--
========================================
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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========================================
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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