[gmx-users] g_rms and pbc

[David van der Spoel]

On Wed, 24 Mar 2004, Alan Wilter Sousa da Silva wrote:

>Hi List!
>
>I'm facing a really boring problem. I have a MD in which system (protein
>with 2 chains plus drug) cross box appearing in the other side, perfectly
>normal according to PBC.  However, calculating g_rms with options -prev 1
>and -nopbc I still got peaks in my rms plot, evidencing it's not
>neglecting PBC.
trjconv -pbc cluster

>
>Please how am I supposed to be wrong in my procedure?
>
>Cheers!
>

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 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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