Hello,
I am wondering what the appropriate syntax is for restraining all but hydrogen atoms in a TINKER .key file. The "RESTRAINT-POSITION" term is definitely a required entry of the .key file, but I am not sure what to put in the following entry, designated for an integer representing the atom number. I would like to restrain all hydrogens rather than just one atom.
CB
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Received on Wed Oct 28 2015 - 11:00:03 PDT
