[gmx-users] generation of acetic acid protonated .itp file

[Sunita Patel]

Dear gmx-users,

I am trying to build acetic acid protonated form using PRODRG to run a
simulation using GROMOS96 forcefield. The information says it can only build
acetate ion but not the protonated form of acetic acid. 

How can I build acetic acid (protonated form) .itp file compatible to GROMOS96
forcefield.  


Your help will be appreciated.


Best regards,
Dr. Sunita Patel
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Visiting Fellow
Department of Chemical Sciences
T.I.F.R., Homi Bhabha Road, Colaba
Mumbai - 400005
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