[gmx-users] Heavy Hydrogens
harrigan at stanford.edu
Thu Apr 23 22:25:54 CEST 2015
There is an option in pdb2gmx "-heavyh" which shuffles some mass from the connected heavy atom to the hydrogen. I want to do this, but starting from a top, gro pair of files. Specifically, I don't want gromacs to try to regenerate all the forcefield parameters in my top file. Does anyone have suggestions for how I can go about this?
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