On Tue, Jul 15, 2008, Vlad Cojocaru wrote:
>
> I noticed that the "projection" action command in ptraj is missing in
> the dispatch.c file in the AmberTools 1.0 distribution. Therefore when I
> attempted to run a PCA, the projection command failed with an error
> indicating "unknown action type".
>
> The solution is to introduce the line below in the dispatch.c form ptraj
> of AmberTools 1.0 at line 305
>
> {"projection", 10, -1, TRANSFORM_PROJECTION, ptrajSetup},
This is fixed in version 1.1. But you might want to wait for version 1.2,
which corrects some other problems, and will be posted very soon.
...dave
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Received on Wed Jul 16 2008 - 06:07:40 PDT
