! If you need any other files or information, please let me know.
-Wes
On Tue, Mar 24, 2020 at 3:44 AM Justin Lemkul wrote:
>
>
> On 3/24/20 3:09 AM, Wesley Michaels wrote:
> > Hi,
> >
> > Thanks for your reply! I built the topology with my own script, as
> opposed
&
23, 2020 at 3:54 AM Alessandra Villa <
alessandra.villa.bio...@gmail.com> wrote:
> Hi
>
> On Sat, Mar 21, 2020 at 3:20 AM Wesley Michaels
> wrote:
>
> > Hello,
> >
> > I hope this message finds you well! I'm running a pretty simple
> simulation
> > of
Hello,
I hope this message finds you well! I'm running a pretty simple simulation
of a polyethylene melt (N = 100, 50 chains in the simulation, T = 500K, P =
1atm, NPT ensemble, dt = 1 fs, OPLS-AA FF). My simulations are exhibiting
large, unstable volume fluctuations when I use the combination of
