kay.gottschalk at weizmann.ac.il
Tue Jun 24 11:48:01 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,
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