[gmx-users] energy minimization, freeze CA

[David van der Spoel]

Michal Kolinski wrote:

> Hi all.
>
> I have quick question: is there a way to
>
> freeze protein backbone during energy minimization using new GROMACS 3.3 ?
>
> Thanks you in advance.

I don't think so. You can put position restraints with a very large 
force constant however.

> Ten list został przeskanowany przez program ArcaMail 
> <http://www.mks.com.pl>
> Silnik (2005-06-03/2005-12-05) 	This message has been scanned by 
> ArcaMail <http://www.mks.com.pl>
> Engine (2005-06-03/2005-12-05)
>
>------------------------------------------------------------------------
>
>_______________________________________________
>gmx-users mailing list
>gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>


-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++