On 3/18/13 9:59 PM, Kieu Thu Nguyen wrote:
Thank Justin !
I made this rectangular box from merging two cubic boxes. And i carry out
equilibrate this box. Do you mean that i should run NVT, and next step run
NPT, to keep box shape fixed ?
I'm not making any recommendation. You haven't provid
Thank Justin !
I made this rectangular box from merging two cubic boxes. And i carry out
equilibrate this box. Do you mean that i should run NVT, and next step run
NPT, to keep box shape fixed ?
Regards,
~Thu
On Tue, Mar 19, 2013 at 3:39 AM, Justin Lemkul wrote:
>
>
> On 3/18/13 1:36 PM, Kieu
On 3/18/13 1:36 PM, Kieu Thu Nguyen wrote:
Dear All,
I want to equilibrate a rectangular box. But after running MD 60 ns, the
system become to be a cubic box mostly. I do not want this happens. Can
anyone tell me how to constrain the boxsize. In that case, the boxsize has
fluctuations but rema
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