:
>
>
> On 6/25/15 2:46 PM, John Degenstein wrote:
>
>> Justin,
>>
>> Ok, so I decided to take a different path to solve this issue.
>> Essentially,
>> using the Berendsen Pcoupl the system should condense under high pressure.
>> For some reason it doe
processor which I
think would reduce the number of DD cells and thus prevent this error.
Does anyone have any thoughts/comments/concerns about my procedure?
Thanks,
John Degenstein
On Fri, Jun 19, 2015 at 11:06 PM, Justin Lemkul wrote:
>
>
> On 6/19/15 1:35 PM, John Degenstein wrote:
&
Hello,
I am trying to build a bigger liquid phase (1000) from a small cluster of
molecules (125). So far I have succeeded in forming the small cluster of
125 molecules shown in the below image. This was after running gmx trjconv
... -pbc cluster -center to bring the molecules into the middle of th
