[gmx-users] rvdw-switch

David spoel at xray.bmc.uu.se
Wed May 28 12:39:01 CEST 2003


On Wed, 2003-05-28 at 21:50, sadhna wrote:
> hi all,

> 
> Could anyone detail how the vdw potential varies between rvdw_switch and
> rvdw in the cases above, especially mdp2 and mdp3 are very confusing.
> Does the potential decrease smoothly between rvdw_switch and rvdw even
> when the vdwtype=cut-off as in the mdp2 file?
> if the user does not specify rvdw_switch in the mdp file does it take any
> default value?.
manual chapter 4. Correct me if Iäm wrong though. Otherwise checkout out
src/mdlib/tables.c


> 
> thanks for the patience
> sadhna
> 
> 
> 
> 
> 
> Sadhna Joshi
> Research Scholar
> Dept of Chemical Engg
> Indian Institute of Technology,Powai
> Mumbai-400076
> India
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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