[gmx-developers] SAS or SES algorithm in GROMACS

[Martin Höfling]

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