[gmx-users] posre.itp for dimer protein

chemocev marker jirivitali at gmail.com
Wed Feb 1 23:11:04 CET 2017

I am running a simulation of a dimer protein and I did not included the
posre.itp comments in my topology.top file and protein is moving out of the
box. But I find that gromacs has produced the separate posre.itp for each
chain. Should I include the posre.itp for both chain ? or there is some way
to make only one posre.itp for the complete dimer protein.


J Vitali

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