[gmx-developers] SAS or SES algorithm in GROMACS

[David van der Spoel]

Martin Höfling wrote:
> Am Dienstag, 23. Januar 2007 16:53 schrieb Tsjerk Wassenaar:
> 
> Thanks Tsjerk for your quick answer.
> 
>> g_sas can generate the connely surface. You can run through the code
>> for the routines you need.
> 
> I checked through the code and the output. I tried several settings but the 
> surface is triangulated too irregular. Also there are some holes it where no 
> dots are.
> 
> But your suggestion was worth a try.
> 
> Cheers
> 	Martin
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have you checked the flags? how about -ndots 96?

-- 
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://folding.bmc.uu.se
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