[gmx-users] About support for infinite systems in cvsversion

[Wei Zhang]

Dear David,
  It seems that without restraints, the nanotube can be stable with the CVS code, to some
 extent.
	

======= 2003-09-20 21:24:00 您在来信中写道：=======

>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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　　　　　　　　致
礼！
 
				 
　　　　　　　　Wei Zhang
　　　　　　　　zhangw at sinr.ac.cn
　　　　　　　　　　2003-09-22