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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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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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