AMBER Archive (2002)

Subject: Re: carnal RST output format

From: Bill Ross (photoriot_at_yahoo.com)
Date: Tue Mar 19 2002 - 13:32:36 CST

> When I write a RST (restart) ouput format with
> carnal, by default, carnal writes the number of
> iterations at the end of the [name of the] output
> file. Is it possible to avoid this feature? (this
> doesn't happend with the crd format).

Since multiple RST or PDB files can be written, there
must be some way of distinguishing them. This is not
a problem when writing mdcrd, since a single file
contains all coordinate sets.

If enough people wanted it and no one objected, I
could change the carnal code (which is C, btw) to
not put a number on the name of the first file in
the series.

Bill Ross
ross_at_cgl.ucsf.edu

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