[gmx-users] Re: gmx-users Digest, Vol 102, Issue 52

Ali Alizadeh ali.alizadehmojarad at gmail.com
Mon Oct 8 13:48:06 CEST 2012

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,


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