gmx3 at hotmail.com
Tue Jun 24 11:58:01 CEST 2003
>Hi there, when i am running
> g_sas -f full -s full -i -minarea 0.15 -oa
>I get as surface area 0.23 for atom 5 in atomarea.xvg, but atom 5 does not
>appear in surfat.itp - similar things are true for very many atoms. That
>means that atoms, which should be surface atoms, are not accounted for in
>the surfat.itp, which as far as I know should entail all surface atoms. Do
>I do anything wrong here ?
>Thanks for your help,
The -r and -oa (resarea and atomarea) output of g_sas has always been
The normal -o output is correct though.
The only way to get correct atom areas is to use the current CVS code.
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