Thanks ..
On Wed, Jul 16, 2014 at 4:28 PM, rajat desikan
wrote:
> Hi,
> You need to perform the NVT and NPT equilibration at 353.1 K and then use
> your equilibrated system for the production run.
>
>
> On Wed, Jul 16, 2014 at 10:55 AM, bharat gupta
> wrote:
>
> > Hi,
> >
> > I first simulated
Hi,
You need to perform the NVT and NPT equilibration at 353.1 K and then use
your equilibrated system for the production run.
On Wed, Jul 16, 2014 at 10:55 AM, bharat gupta
wrote:
> Hi,
>
> I first simulated my protein system at 300 K. Now I want to simulate the
> same protein system at high t
Hi,
I first simulated my protein system at 300 K. Now I want to simulate the
same protein system at high temperature (353.15 K). So, do I need to
perform the npt and nvt equilibration again at 353.1 K first and then the
final production run ?? Will it be okay to change the temp only in the
product
