[gmx-users] Re: Turn on pdb output after every step

santhosh mesanthu at gmail.com
Tue Jan 15 15:05:45 CET 2013


@Bogdan : It differs from the normal gromacs setup as this PDB write is
expected to happen during the run. (While the simulation is still running).
I have posted this in gmx-developers post as I felt its more apt after
Justins advice. 



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