Dear amber user and developer
I read at the amber 12 manual book on page 20, in the section of iwrap.
It is mention "..For very long runs, setting iwrap = 1 may be required to
keep the coordinate output from overflowing the trajectory and restart file
formats,..."
How long of the simulation can be count as very long simulation ?
I am doing 20 ns simulation, this simulation is very long simulation or we
can use iwrap = 0, as this is not too long simulation.
For iwrap=0, can we make it wrap again after simulation, maybe with some
process ?
Thank you very much
Setyanto Tri Wahyudi
Lab Biokimia Komputasi
Institut Teknologi Bandung
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 03 2014 - 18:30:03 PDT
