[gmx-users] contact analysis within the all backbone of a protein
islamshahee at gmail.com
Mon Dec 17 14:43:33 CET 2018
to calculate the contact between the all backbone of a protein ,is the
following command is correct
gmx mindist -f dynamic.xtc -s equilibration.gro -n bb-p.ndx -dt 1000
-d 0.5 -on contact.xvg -od mindist.xvg
because after entering this command i have to select the same group
for two times.
Using this command i can calculate no of contacts between two group
by selecting two different group.
My question is, can i calculate all the backbone contact within a same
protein by selecting the same group for two times.
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