[gmx-users] PCA component

Tsjerk Wassenaar tsjerkw at gmail.com
Sat May 8 11:38:12 CEST 2010


Of course you can filter along  one eigenvector. My guess is that the option
for 3d projection was also selected (-3d)...



On May 8, 2010 10:08 AM, "David van der Spoel" <spoel at xray.bmc.uu.se> wrote:

On 2010-05-08 08.45, Anirban Ghosh wrote: > > Hi ALL, > > I am trying to do
a PCA for my simulation....
Please give the entire command line.
You can see projections along 1 PC, don't know about trj filtering.

> > Any suggestion is welcome. Thanks a lot in advance. > > Regards, > >
Anirban --
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

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