[gmx-users] Re: dPCA

[Gia Maisuradze]

Dear David,

In one of the discussions regarding dPCA, you have mentioned some negative 
sides of this method (false minima, barriers are due to overlapping atoms, 
...). I was wondering if you have the references, where dPCA is criticizes.

Thanks,

Gia

> According to some people this information is not really useful for
> protein analysis, as it can show many false minima and it is hard to go
> back to real space. Barriers you see may be trivial due to overlapping
> atoms.
>
>
>>
>> The same question I have asked Erik Lindahl, but he did not know about
>> dPCA in new Gromacs version.
>>
>> Thanks,
>>
>> Gia
> -- 
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
>