[gmx-users] To add all hydrogens

montserrat.vaque at urv.cat montserrat.vaque at urv.cat
Mon May 22 17:52:34 CEST 2006

Dear All,

First of all, I would like to give my thanks for the help David van der Spoel has given us.

I'm doing an energy minimization with mdrun without problems. However, I've noticed that Gromacs is only adding the polar hydrogens and not all the hydrogens during the energy minimization. I would like to know if GROMACS is able to add all hydrogens and what I have to do, which option I have to choose if it is possible.

Thanks in advance for your help.



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