[gmx-users] Re: Question abouttau_p value!
David van der Spoel
spoel at xray.bmc.uu.se
Tue Apr 22 15:04:01 CEST 2003
On Tue, 2003-04-22 at 14:48, PeiQuan Chen wrote:
> Dear David:
>
> >Your cut-off is too close to half the box length and scaling makes the
> >box smaller than twice the cut-off
> Thank you for your kindly reply.
> Do you mean that I should set the cut-off value smaller?
> And Which value should I define for cut-off?
>
you don't give any number on cut-off or box size.
all I can say is cut-off < half the box.
> Thank you in advance!!
>
> Sincerely yours
> ----
> PeiQuan Chen
> ________________________________________________________________________
> PeiQuan Chen Department of Chemistry, Nankai University
> WeiJin Road 94, TianJin, 300071, P.R.China
> phone: (86)2223506728 Mobile Phone: (+86)13920675030
> gromacs at 163.com
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--
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Dept. of Cell & Mol. 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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