[gmx-users] rigid structure

[Erik Marklund]

Hi,

Yes, e.g. by constructing elaborate virtual sites. The reason for doing so remains unclear to me, however.

Best,

Erik

9 nov 2012 kl. 17.28 skrev afsaneh maleki:

> Hi,
> I am trying to simulate some organic molecules with gromacs. I want to
> consider their internal structures of these molecules as rigid structure (*i.
> e.* molecule have only translation motion).
> 
> Is it possible to consider them as rigid structures with gromacs, and if
> so, how?
> Kind regards
> Afsaneh
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html