[gmx-users] g_rotacf and P 1,2,3 meaning

[David van der Spoel]

On 2015-03-11 13:21, Jennifer Vo wrote:
> Dear All,
> When using g_rotacf, could you please explain to me the difference between
> option P 1, 2, and 3? The results from these are significantly different.
> Many thanks in advance.
> Regards,
> Jennifer
>
Before processing, the cosine is inserted into a Legendra polynomial of 
order 1,2, or 3. It depends on what experiment you are comparing the 
result to what order you should use.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se