[gmx-users] trjconv -pbc

David spoel at xray.bmc.uu.se
Sun Mar 9 12:47:05 CET 2003


On Sun, 2003-03-09 at 09:58, Andre Farias de Moura wrote:
> 
> hello rainer,
> 
> my tpr-file is ok, lipid molecules are not broken after
> "-pbc whole" option is applied. any other clue?

Since you have a pbc system, lipids will have to be either on one side
of the box, or on the other. If they move they may be transported to the
other side. What people usually do for animations of bilayers is to
extend the pbc (using e.g. genconf)


-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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