[gmx-users] isotropic force constant?

2007-03-15 Thread Qiang Zhong
Dear users: I have a position restrain .mdp file need to set,I use 300K in which an isotropic force constant of 100kjmol-1A-1 is applied to all nonhydroggen protein atoms. In my pr.mdp file which parameter I should add? Thank you very much! _

Re: [gmx-users] isotropic force constant?

2007-03-15 Thread Mark Abraham
> Dear users: > I have a position restrain .mdp file need to set,I use 300K > in which an isotropic force constant of 100kjmol-1A-1 is applied to > all nonhydroggen protein atoms. > > In my pr.mdp file which parameter I should add? > Thank you very much! If you use pdb2gmx, it will ge