Hwankyu Lee wrote:
Dear Mark,
I just measured the projected XY-area (simply XY-size of box), and used
typical periodic boundary condition (In g_sas, default considers PBC).
In the small system (128 lipid bilayer), there is no undulation, so
projected area per lipid may be almost the same as non-projected area
per lipid. So, total solvent accessible surface area (the third column)
should be always larger than the projected XY-area, but I observed that
total SASA become smaller than the projected XY-area at some point.
Could you give me some suggestions?
Show us your box dimensions at a point when you observe this to occur -
or preferably a relevant chunk of both g_sas and g_energy output.
Mark
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
