Dear usres
Thank you for your replies
1- Is it possible define a ion as a propane molecule and then
I do adding propane molecules instead of methane molecules in my system?
2- Other wise, I select 300 molecules of methane and remove them from my
system(randomly and by hand, for example 500 molecules of methane and
adding 100 molecules of propane,)
[Dr. Vitaly Chaban comment]
Is it possible and common method?
I am using OPLS AA ff,
Sincerely
--
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