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

[Ali Alizadeh]

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