[gmx-users] Resuming of calculation from last *.cpt

Rajiv Gandhi grajiv03 at gmail.com
Mon Sep 17 14:48:23 CEST 2012

Dear all,

I have read few papers regarding the photo dissociation event such
as Myoglobin heme-ligand bond deletion to induce the photodissociation in
MD simulation.

Could you please tell me the procedure how can i perform the
photodissociation mechanism in Gormacs and which force field have to use,

 Also I want to study Upon the photo dissociation their structural changes
in MD. Thanks in advance,



More information about the gromacs.org_gmx-users mailing list