[gmx-users] OPLS-AA time step

[David]

> > With -dummy aromatics you should use the gromos96 force field.
> > With -dummy h you can also use the OPLS force field (if you need all
> > atoms). ffgmx2 is deprecated.
> >
> 
> Dear gromacs users, 
> 
> can I increase the maximal allowed time step form 2 to 5 fs, when using 
> OPLS-AA with -dummy hydrogens?

I have hitherto used not more than 4 fs, but of course you can do some
tests yourself, as in the Feenstra et al. paper
@Article{Feenstra99a,
  author = 	 {K. Anton Feenstra and Berk Hess and Herman J. C.
Berendsen},
  title = 	 {Improving Efficiency of Large Time-scale Molecular Dynamics
Simulations of Hydrogen-rich Systems},
  journal = 	 {J. Comp. Chem.},
  year = 	 1999,
  volume =	 20,
  pages =	 {786-798}
}

> 
> ciao
> 
> 
> thomas
> 
> ---
> Thomas Stockner
> Department of Biological Sciences
> Biol. 414-416
> 2500 University Drive NW
> Calgary, AB T2N 1N4
> Canada
> Phone: (403) 220-2439
> Fax: (403) 289-9311
>  
> email: stockner at ucalgary.ca
> http://moose.bio.ucalgary.ca/People/Thomas
> 
> 
> 
> 
> _______________________________________________
> 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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++