Position restraints in nwchem
Clicked A Few Times
12:54:21 AM PDT - Sat, Jun 9th 2012
How to carry out position restraints like gromacs in molecular dynamics simulation by using NWCHEM?

Forum Vet
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?


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