[gmx-users] Fixed Atoms minimization and MD

[David van der Spoel]

Arneh Babakhani wrote:
> Dear GROMACS users,
> 
> Is it possible to run a minimization (or MD) with some atoms fixed, in 
> GROMACS?
> 
in principle yes, as long as you don't have constraints on them 
simultaneously.
same goes for md simulation
> Thanks,
> 
> Arneh
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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://folding.bmc.uu.se
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