[gmx-users] Is there a way to energy minimize only part of macromolecular structure?
aroberts99163 at yahoo.com
Fri Jun 4 05:56:08 CEST 2010
Is there a way to energy minimize only part of the structure? I have
made the ndx file, but I am not sure what parameters to use with
mdrun. Your help is much appreciated.
Dr. Arthur Roberts, Ph.D.
University of California, San Diego
Skaggs School of Pharmacy and Pharmaceutical Sciences
9500 Gilman Drive #0703
La Jolla, CA 92093-0703
email: aroberts99163 at yahoo.com
More information about the gromacs.org_gmx-users