[gmx-users] Large VCM and mdrun crashed

[David]

On Wed, 2005-10-12 at 12:10 -0800, Yinghong wrote:

> Because in my system, several protein chains are included. So, Did I
> need to make C.O.M removal for every seperated group? For example, is
> it ok for me to define "comm_grps = Protein1  Protein2  Protein3"?
> 
You only want to do this in very special cases like
membrane/protein/water systems. Here you want just one group.


>  
> 
> Thanks in advance.
> 
>  
> 
>  
> 
> Xie Yinghong
> 
> Hong Kong Univ.
> 
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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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