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Position restraints in nwchem

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How to carry out position restraints like gromacs in molecular dynamics simulation by using NWCHEM?

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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See http://www.nwchem-sw.org/index.php/Release61:Constraints .

For MD: http://www.nwchem-sw.org/index.php/Release61:MD#Fixing_coordinates .

Bert


Quote:Lmyiop Jun 9th 7:54 am
How to carry out position restraints like gromacs in molecular dynamics simulation by using NWCHEM?


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