Hello all,
I have minimized the pdb file and wish to do mdrun for position restrain
dynamics.
For this when I run grompp programm, it is showing error as follows. I don't
understand why it is showing this error:
processing coordinates...
double-checking input for internal consistency...
Hi Dhananjay,
Happy new year :)
Just what it says: not enough ref_t and tau_t values. You use
Protein and Sol as temperature coupling groups, but likely, you
also have ions in your system, which are not coupled now. You may want
to use Protein and Non-Protein in stead. In case you have some non
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