Dear users,
in computing radius of gyration of a protein in water (g_gyrate), I have
found values that are rather smaller than what found experimentally, maybe
because bound water isn't taken into account within g_gyrate routine. Is
there any way to overcome this limitation?
Thanks in
Sorry, since I hadn't any answer to my question yet, I'm resending it to
give it visibility!
Thanks,
Fabrizio
--- Messaggio inoltrato ---
Da: Fabrizio Mancinelli [EMAIL PROTECTED]
A: gmx-users@gromacs.org
Oggetto: question about g_rmsdist
Data: Mon, 14 May 2007 18:52:54 +0200
Dear all
Dear all,
I would like to have some elucidation about g_rmsdist output.
Optionally, it outputs three matrices with the options -rms, -mean and -
scl. Questions are:
1) Exploring .xpm files, I see there is a letter code which converts
color exa-codes to letters to values. The resolution is
Dear users,
I would like to have some delucidations about the -map option of the do_dssp
routine. In the help file, it says File that maps matrix data to colors,
and I guess it is an input file to be supplied in order to assign colors to
the different ss elements. Is it right? And, if so, how
Hi all,
I tried to perform a CONCOORD simulation by means of cdist and disco
routines included in GROMACS. However, while cdist appears to work well,
disco produces a segmentation fault error. Maybe a problem in managing
memory? Does anybody give me a clue? Thanks in advance!
--
Fabrizio
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