[gmx-users] constraints

[David]

On Mon, 2005-02-28 at 13:24 -0800, Cesar Lopez wrote:
> Dear gromacs users:
> Does Anybody know how to perform a molecular dynamics simulation using
> constraints only in one group? I mean, if I am using form example 3
> groups (SOL, PROTEIN AND DRUG), How Can I run the molecular dynamics
> using only constriants for SOL AND PROTEIN groups?
Replace the header 
[ bonds ]
in your topology by
[ constraints ]

>  
> Thanks in advance
> Cesar
> 
> 
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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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