[gmx-users] g_sas and PBC

[David van der Spoel]

Gurpreet Singh wrote:
> Dear Gromacs Users,
> 
> I am using g_sas program of gromacs to calculate SASA, ?using -pbc flag.
> It seems to me that the program does not take into account the periodic
> boundary conditions.
> Even thought this problem is mentioned in the mailing list, it still not
> clear whether the program can or cannot take into account the
> periodicity. 
> i am using gromacs3.3.2 . Could anyone please clarify this. 
> 


http://bugzilla.gromacs.org/show_bug.cgi?id=180

> With Regards,
> Gurpreet Singh
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> ------------------------------------------------------------------------
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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