[gmx-users] center of mass removal
baloilgiullare at interfree.it
Wed Mar 19 12:35:22 CET 2008
Tsjerk Wassenaar wrote:
> Hi baloilguillare at interfree.it,
> I have recently modified the routine as to not crash upon a shift over
> periodic boundaries, which would occur with the original code. Also, I
> streamlined the routines such that they don't lead to large
> modifications of update.c
> I will put the modified code on line, probably today, and provide the
> link to it. This concerns version 3.3.1.
> I'm working on making the implementation more robust, and if finished
> I'll short-circuit with David about adding the changes to the official
this sounds great; this modified version will be put online on the same
link of the older?
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