[gmx-users] g_dyndom

[David]

On Fri, 2002-12-20 at 01:15, Ruben Martinez Buey wrote:
> Hi David,
> Thanks a lot for your reply!!
> 
> Dyndom tells that there are three domains, and the residue numbers of each
> one.
> I specify this domains in the index file and run g_dyndom:
> 
>  Select group to rotate:
> Group     0 (      System) has  2553 elements
> Group     1 (     Protein) has  2553 elements
> Group     2 (   Protein-H) has  2553 elements
> Group     3 (     C-alpha) has   408 elements
> Group     4 (    Backbone) has  1076 elements
> Group     5 (   MainChain) has  1410 elements
> Group     6 (MainChain+Cb) has  1711 elements
> Group     7 ( MainChain+H) has  1410 elements
> Group     8 (   SideChain) has  1143 elements
> Group     9 ( SideChain-H) has  1143 elements
> Group    10 (     domain1) has  1170 elements
> Group    11 (     domain2) has   160 elements
> Group    12 (     domain3) has   651 elements
> Select a group: 12
> Going to rotate Protein-H containg 2553 atoms
> 
> Back Off! I just backed up rotated.xtc to ./#rotated.xtc.1#
> Frame:  0 (label A), angle:    0.000 deg., trans: nan0x7ffffe00 nm
> Fatal error: Arrow vector not given
> 
You need to give two command line options to determine the arrow
g_dyndom -h

Furthermore it seems that typing 12 does not get you the right group.
That is weird.

>
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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