[gmx-users] About support for infinite systems in cvs version

[David]

On Sat, 2003-09-20 at 20:41, Wei Zhang wrote:
> Dear David,
> 
> I know what's the problem now. And I know what "pbc=full" means now. Thanks.
> I found that when posre.itp is present in the working directory, with 
> #ifdef POSRES         
> #include "posre.itp"  
> #endif                
> in the topology file, even without "-r" in "grompp" command, there are constraints used all the same.  
> 
ok, and does the nanotube behave well now without restraints, with the
CVS code?


-- 
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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