The structure is taken from the end of previous simulation which terminates
successfully. The initial structure should not be the problem. What I do
only edit the last line (Z direction) of this structure to create vacuum.
This the output from log file.
Charge group distribution at step 0: 81 188
But you have conf.gro
On Fri, Apr 5, 2013 at 10:29 PM, Elisabeth wrote:
> Well I am not getting the trajectory. Simulation crashes before any step
> is calculated :(
>
>
> On 5 April 2013 11:20, Dr. Vitaly Chaban wrote:
>
>>
>>
>>> My problem is NVT crashes at step 0 and no energies or any oth
> My problem is NVT crashes at step 0 and no energies or any other output
> file is written...
>
>
>
What about visualizing your interface?
> On 5 April 2013 10:25, Dr. Vitaly Chaban wrote:
>
>> > Hi all,
>> >
>> > I have problem ruunning NVT with Z direction extended to get surface
>> > t
Hi Vitaly,
To get surface tension one needs to extend Z to get a surface. From bulk it
is not possible to create a surface.
My problem is NVT crashes at step 0 and no energies or any other output
file is written...
On 5 April 2013 10:25, Dr. Vitaly Chaban wrote:
> > Hi all,
> >
> > I have pro
4 matches
Mail list logo
