Position restraints in nwchem

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9:12:51 AM PDT - Mon, Jun 11th 2012
See http://nwchemgit.github.io/index.php/Release61:Constraints . For MD: http://nwchemgit.github.io/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?