[gmx-users] adding hydrogen atoms into a POPC membrane

Carlos Navarro Retamal cnavarro at utalca.cl
Sat Dec 13 06:47:31 CET 2014

Dear gromacs users,  
I just ran a CG simulation of a system consisting in a protein embedded in a POPC membrane solvated in water.  
After that i ran the script .initram to obtain an AA representation of my system (gromos54a7), but sadly i couldn’t find a *.itp with the description of the hydrogen atoms of the membrane.
So, is there a way to add the missing atoms after this step? and if its not posible, could someone provide me with the ‘correct’ *itp file (hopefully gromos or charmm ff) ?
Thanks in advance.
Have a nice weekend,

Carlos Navarro Retamal
Bioinformatic engineer
Ph.D(c) in Applied Science, Universidad de Talca, Chile
Center of Bioinformatics and Molecular Simulations (CBSM)
Universidad de Talca
2 Norte 685, Casilla 721, Talca - Chile   
Teléfono: 56-71-201 798,  
Fax: 56-71-201 561
Email: carlos.navarro87 at gmail.com or cnavarro at utalca.cl

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