Hi,
use trjconv
Well, that's just to start the mail with it in stead of ending. g_rms
(g_gyrate, g_rmsf, g_covar) are rather dumb programs, taking a
structure, fitting it to a reference orientation and doing some stuff
on it. They don't check for jumps over the PBC. PBC and fitting don't
go too w
Ramon Crehuet wrote:
Hi,
Please don't flame me for asking yet another question about the "out of
the box" and PBC issue. I've tried to RTFM, RTFML, but could not find
the question I'm asking.
I (think) I understand what PBC implies and the fact that "out of the
box" makes no sense because the s
Hi,
Please don't flame me for asking yet another question about the "out of
the box" and PBC issue. I've tried to RTFM, RTFML, but could not find
the question I'm asking.
I (think) I understand what PBC implies and the fact that "out of the
box" makes no sense because the system is periodic and gro
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