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

[Wei Zhang]

Dear David,

Oh, sorry, Maybe it's not problem on the pbc support.

I used bonds type 1, angles 1, dihedrals 1 for the interaction of carbon atoms in the nanotube.  pbc=xyz. When I ran Gromacs 3.1.2 in windows XP, the structure was steady. But when I changed it into the CVS version, and used pbc=full,the structure became unsteady and deformed.

	

======= 2003-09-20 01:17:00 您在来信中写道：=======

>Dear David,
>
>I don't see the support for infinite systems in the current CVS verion Gromacs works.
>
>I simulated a carbon nanotube. I used periodic boundary condition. When I use the windows version 3.1.2, it runs fine. But when I use the CVS version and let pbc=full, it gives bad result. 
>  
>
>　　　　　　　　Wei Zhang
>　　　　　　　　zhangw at sinr.ac.cn
>　　　　　　　　　　2003-09-20
>
>
>_______________________________________________
>gmx-users mailing list
>gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.

= = = = = = = = = = = = = = = = = = = =
			

　　　　　　　　致
礼！
 
				 
　　　　　　　　Wei Zhang
　　　　　　　　zhangw at sinr.ac.cn
　　　　　　　　　　2003-09-20