[gmx-users] energy minimization of protein taken from PDB

md kashif kashifzamir180.mk at gmail.com
Mon Nov 10 08:36:29 CET 2014

Dear all
I have downloaded a protein from RCSB, having two chains. In order to go
for energy minimization should I delete one chain as both are similar and
other molecules like SO4, water etc? Is the protein having chain A only can
be used for energy minimization  using tutorial

I have gromacs 4.6.5 installed on my  i7 processor laptop.

kindly reply

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