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

[Bogdan Costescu]

On Mon, Jan 14, 2013 at 9:23 PM, santhosh <mesanthu at gmail.com> wrote:
> I want to output pdb during the run. Before every integration step, I want
> to output the current configuration of the system.

Before an integration step is after the previous integration step,
which is where the normal trajectory writing happens... so it's still
not clear how your desired mode of operation differs from what GROMACS
currently offers.

Cheers,
Bogdan