[gmx-users] why does trjconv need a tpr file

Rafael I. Silverman y de la Vega rsilverm at ucsc.edu
Thu Jan 23 00:50:22 CET 2014


Thanks.
So, trjconv alters the original .tpr file, adding the new periodic boundary
conditions?


On Wed, Jan 22, 2014 at 1:36 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/22/14, 4:33 PM, Rafael I. Silverman y de la Vega wrote:
>
>> Why does trjconve need a tpr file for -pbc options?
>>
>
> It is the only file that contains the type of PBC treatment for the run.
>
> -Justin
>
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