[gmx-developers] SAS or SES algorithm in GROMACS

Martin Höfling martin.hoefling at gmx.de
Tue Jan 23 18:49:35 CET 2007

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.


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