Ricardo O. S. Soares wrote:
Hi gmx users,
I'd like to run a test simulation, in which the temperature coupling
is not on for the protein, yet active for the solvent and ions. If I
specify in the tc-grps only "Non-protein", the grompp complains (Fatal
error) that there are some atom
Hi gmx users,
I'd like to run a test simulation, in which the temperature coupling is not
on for the protein, yet active for the solvent and ions. If I specify in the
tc-grps only "Non-protein", the grompp complains (Fatal error) that there are
some atoms (the ones of the protein) out
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