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

Sunita Patel sunita at mailhost.tifr.res.in
Fri Oct 14 09:51:57 CEST 2011

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

Your help will be appreciated.

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

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