[gmx-users] g_dist

Nilesh Dhumal ndhumal at andrew.cmu.edu
Thu Jun 16 17:23:03 CEST 2011


Hello,

I have a system with 128 emi (cations) and 128 Cl (anions).

I want to calculate how many CL atoms are in cutoff distance relative to
hydorgen aotm of cation.  I considered all CL atoms are distinguishable.

Basically I want to calcualte the distance between each CL atom and
correponing hydorgen and registered those CL atoms which are whthin
cutoff.

How can I do ?

I am using Gromacs 4.0.7 version.

Thanks

Nilesh











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