[gmx-users] g_sas

Kay Gottschalk kay.gottschalk at weizmann.ac.il
Tue Jun 24 14:52:01 CEST 2003

Can I just install g_sas from the current CVS code or do I have to 
install everything new? If the former, what do I have to do? Thanks a 
lot for your help,

On Tuesday, June 24, 2003, at 02:57 AM, Berk Hess wrote:

>> 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,
>> Kay
> The -r and -oa (resarea and atomarea) output of g_sas has always been 
> incorrect.
> The normal -o output is correct though.
> The only way to get correct atom areas is to use the current CVS code.
> Berk.
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