Dear ALL
when we simulate in vaccum, first we do steepest descent, then conj, then md
in vac.
I want to know that, Do we use periodic boundary conditions here..and also if
we dont specify anything about pbc in mdp file wht does gromacs take it as...
Also please tell me, is their any particular value of emtol in mdp files of
steep and cg, that we should use... I use emtol=1000 in the steep file, and
then when i do cg i keep it 100, 50, 10, 8, 2 step by step.
Regards
nur
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