[AMBER] PTRAJ clustering atom /hetatm problem

From: Andrew Voronkov <drugdesign.yandex.ru>
Date: Tue, 12 Jan 2010 19:50:40 +0300

Dear amber users,
by some reasons after clustering of mdrcd trajectory I get protein files with HETATM records for some amino acids (attached below).
If I convert resulted rst file from mdcrd then everythinbg is ok.
What can be the problem? (it's not difficult to replace them of course, but it s just strange a bit).

Sincerely yours,
Andrey

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Received on Tue Jan 12 2010 - 09:00:02 PST
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