Hello Everyone,
I am trying to pull ligand biotin out of the streptavidin protein.Following
the tutorial Protein ligand complex by Justin ,i have done till energy
minimization step skipping adding solvent and ion step,and skipping
pressure and temperature equilibration.Now how to proceed further t
nur avneet wrote:
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..
That depends if you want an isolated system in vacuo, or a periodic
system in vacuo.
and
also if we dont spec
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 parti
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