[gmx-users] Side chain minimization

Gaurav Porwal gauravp at che.iitb.ac.in
Fri Apr 9 15:13:03 CEST 2004

Dear GMX users,

I need to minimize the energy of a PDB file using the steepest descent
method. The constraint is that I need to keep the backbone strictly fixed
with no angle/bond length changes during the minimization and so only the
side chains should be changing positions to get the minimum energy

Can anybody plz. enlighten how to go about it.

Thanks in advance.


I can't believe that God put us on this earth to be ordinary.
						       ---- Lou Holtz

                           Gaurav Porwal
		    Senior Undergraduate Student
		  Department of Chemical Engineering
                         IIT Bombay, Powai
                          Mumbai - 400076
                          Ph. - 9820365472

Alternative Email Id's :-
porwal at iitb.ac.in
porwal82 at yahoo.com

More information about the gromacs.org_gmx-users mailing list