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howto:biochem_qmmm

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howto:biochem_qmmm [2017/07/21 15:07] – Added section on moving enzyme residues to QMQM for enzyme residue dvanrompaeyhowto:biochem_qmmm [2017/07/25 11:11] dvanrompaey
Line 100: Line 100:
 changeLJSingleType @4843 0.3019 0.047 changeLJSingleType @4843 0.3019 0.047
  
-parmout complex_LJ_mod.prmtop+outparm complex_LJ_mod.prmtop
 quit quit
 </code> </code>
howto/biochem_qmmm.txt · Last modified: 2024/01/03 13:13 by oschuett