[gmx-users] g_saltbr not include side chains of GLU and ASP??
hmkvsri at gmail.com
Thu Jan 3 10:58:36 CET 2013
I used g_saltbr to calculate the salt-bridge interactions using:
g_saltbr -f ../traj.xtc -s ../topol.tpr -t 0.4 -sep
It gave the output for each atom-atom interaction within
the given cut-off.
When I checked the atom type that corresponds to the atom
number output in each file, side chain oxygen atoms of ASP
and GLU was not present in any of the file. And most of the
atoms that corresponds to the ASP and GLU were CB, CG or
Kindly someone clarify why is this so.
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