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

santhosh mesanthu at gmail.com
Mon Jan 14 21:23:58 CET 2013

@Justin : Thanks for your time but I think I was a little unclear. 

I want to output pdb during the run. Before every integration step, I want
to output the current configuration of the system. 

(This would make the system slow but right now thats not my concern). 

View this message in context: http://gromacs.5086.n6.nabble.com/Turn-on-pdb-output-after-every-step-tp5004542p5004544.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list