[gmx-users] g_dist
RINU KHATTRI
nickname.mittu at gmail.com
Mon Mar 16 11:43:47 CET 2015
hello everyone
I am working on protein complex with popc membrane gromcs version is 4.5.5
i want to calculate the distance between two residues during the
simulation (200ns) i have been made the .ndx file of atoms of two
residues and concatenate .xtc file and final .tpr file
g_dist -f full.xtc -s final.tpr -n atom.ndx -o dist.xvg
Molecule in topology has atom numbers below and above natoms (3893).
You are probably trying to use a trajectory which does not match the
first 3893 atoms of the run input file.
You can make a matching run input file with tpbconv.
the indx file is having the atom no which are present in last.gro file
kindly help
g_mindist, g_hbond is working
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