[gmx-users] MD simulations

soumadwip ghosh soumadwipghosh at gmail.com
Thu Jul 30 11:42:29 CEST 2015

What is the error displayed when you run grompp? Is it related to the
topology mismatch, wrong mdp parameters, domain decomposition error,
shake/Lincs error or something else? There are so many possibilities and
unless you write the exact error statement issued by grompp it is
impossible for anyone to help you.


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