[gmx-users] setting FIXFRC

[David van der Spoel]

On Mon, 2005-09-19 at 23:34 -0400, Samuel Flores wrote:
> Hi All,
> 
> I wonder if anyone can tell me how to set FIXFRC.  This is the GROMOS
> variable that sets the restoring force constant for a position restrained MD
> run.  It seems to be set to a default value of 1000.  I would like to change
> this without having to write a script of my own.
pdb2gmx -posrefc 100
or
genpr 
> 
> Many thanks,
> 
> Sam
> 
> 
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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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