[gmx-users] Average exchange probability when extending REMD

Mark Abraham mark.j.abraham at gmail.com
Wed Jun 15 15:34:12 CEST 2016


Hi,

That's never been implemented, unfortunately.

Mark

On Wed, Jun 15, 2016 at 3:25 PM OuyangYanhua <15901283893 at 163.com> wrote:

> Hi,
> I extended the REMD of a protein in a explicit water and append the data
> to the old ones and it appended. However, at the end of the .log files, the
> replica exchange statistics section only contains the data of  extended
> time, it  did not combine  the former statistics and the extended
> statistics. why? and how to combine the both statistics.
>
> Best regards,
> Ouyang
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