[gmx-users] Regarding calculation of Salt bridge between specific group of atoms

bipin singh bipinelmat at gmail.com
Sat Jun 11 13:55:22 CEST 2011


Dear all,

I want to calculate the salt bridge interaction between a particular
set of residues,
because I can not use index file with g_saltbr, so the next options
available are
g_dist and g_mindist. As stated in manual g_dist gives the  distance between the
center of mass of two groups of atom, while g_mindist gives us the minimum
distance between any pair of atom.
My doubt is that which distance(either given by g_dist or g_mindist)
corresponds to the salt bridge interaction distance
between two atoms.
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Regards,
Bipin Singh



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