[gmx-users] select an atom for "only" residue with make_ndx

ABEL Stephane Stephane.ABEL at cea.fr
Wed May 15 17:03:18 CEST 2019

Hello all, 

I am currently doing simulations of a model of membranes with different types of lipids (LIPIDA, LIPIDB and LIPIDC)  and I would like to select a group of  atoms for only the same lipid with make_ndx. Below an example

Three different lipids : LIPIDA, LIPIDB and LIPIDC contain few atoms with the same name (C31, C32 and C33). With make_ndx I would like to have the atoms C33 and C32 for "only" the LIPIDC

So If I do

rLIPIDC & aC32 | aC33 ---> I have the indices of the C32 and C33 of the 3 lipid types. 

So what is the exact command



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