>
> On 1/16/17 3:04 PM, Alexander Yang wrote:
> > On 1/13/17 6:37 PM, Alexander Yang wrote:
> >>> Hi everyone,
> >>>
> >>> I am pulling a water molecule into a bilayer using an absolute
> reference
> >>> (mdp file below). I have tried to adapt methodology in Justin Lemkul's
> >>> umbrella sampling
On 1/16/17 3:04 PM, Alexander Yang wrote:
On 1/13/17 6:37 PM, Alexander Yang wrote:
Hi everyone,
I am pulling a water molecule into a bilayer using an absolute reference
(mdp file below). I have tried to adapt methodology in Justin Lemkul's
umbrella sampling tutorial, but I have encountered
On 1/13/17 6:37 PM, Alexander Yang wrote:
> > Hi everyone,
> >
> > I am pulling a water molecule into a bilayer using an absolute reference
> > (mdp file below). I have tried to adapt methodology in Justin Lemkul's
> > umbrella sampling tutorial, but I have encountered a couple issues:
> >
>
> If
On 1/13/17 6:37 PM, Alexander Yang wrote:
Hi everyone,
I am pulling a water molecule into a bilayer using an absolute reference
(mdp file below). I have tried to adapt methodology in Justin Lemkul's
umbrella sampling tutorial, but I have encountered a couple issues:
If you're trying to get
Hi everyone,
I am pulling a water molecule into a bilayer using an absolute reference
(mdp file below). I have tried to adapt methodology in Justin Lemkul's
umbrella sampling tutorial, but I have encountered a couple issues:
1) The bilayer (already well-equilibrated) is either being pulled or
