Position restraints in nwchem

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Lmyiop Member Profile Send PM
Clicked A Few Times Threads 18 Posts 21	12:54:21 AM PDT - Sat, Jun 9th 2012 How to carry out position restraints like gromacs in molecular dynamics simulation by using NWCHEM?

Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop Profile Send PM
Forum Vet Threads 3 Posts 380	9:12:51 AM PDT - Mon, Jun 11th 2012 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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