[gmx-users] How to protonate a gmx trajectory?

Hi there, I am using GROMACS4.5.4 and the GROMOS 53A6 united-atom force field to do MD with my protein-ligand system. I was trying to add aliphatic hydrogens to the .gro and .trr or .xtc trajectory file with g_protonate, but the Fatal error was: Library file in current dir nor not found

Re: [gmx-users] How to protonate a gmx trajectory?

Yun Shi wrote: Hi there, I am using GROMACS4.5.4 and the GROMOS 53A6 united-atom force field to do MD with my protein-ligand system. I was trying to add aliphatic hydrogens to the .gro and .trr or .xtc trajectory file with g_protonate, but the Fatal error was: Library file in current dir