[gmx-users] The comm-mode = Angular option in 3.2.1

David spoel at xray.bmc.uu.se
Thu Apr 29 20:37:00 CEST 2004


On Thu, 2004-04-29 at 20:22, Lingling Shen wrote:
> Hi, Listers:
> In previous version, the comm-mode = Angular option is limited to vacumm
> simulations (only one moleucle in system).  Was this improved in
> Gromacs-3.2.1?
It works with PBC too, but you just have to know what you are doing.

> 
> Best,
> 
> 
> Lingling
> --
> ***************************************************
> Lingling Shen           PhD
> Theoretical Biolphysics Group
> Max-Planck-Institute for Biophysical Chemsitry
> Am Fassberg 11, 37073 Goettingen
> Germany
> 
> Phone:  ++49/551/2012321 (O)
> 
> Email:  lshen at gwdg.de
> http://www.mpibpc.mpg.de/abteilungen/071/index.html
> ***************************************************
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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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