Re: [gmx-users] Re: Re: Ion parameters in OPLS AA force field

2012-03-21 Thread Dommert Florian
On Wed, 2012-03-21 at 09:13 +0100, Kathleen Kirchner wrote: > Hello Florian, > > I remembered a discussion with the same problem considering parameters > of Mg2+, here is the link: > > http://comments.gmane.org/gmane.science.biology.gromacs.user/45437 > > The file given here > > http://dasher

[gmx-users] Re: Re: Ion parameters in OPLS AA force field

2012-03-21 Thread Kathleen Kirchner
Hello Florian, I remembered a discussion with the same problem considering parameters of Mg2+, here is the link: http://comments.gmane.org/gmane.science.biology.gromacs.user/45437 The file given here http://dasher.wustl.edu/ffe/distribution/params/oplsaa.prm mentions as source of the force