Re: [gmx-users] Is there a way to energy minimize only part of macromolecular structure?

- Original Message - From: Arthur Roberts Date: Friday, June 4, 2010 13:57 Subject: [gmx-users] Is there a way to energy minimize only part of macromolecular structure? To: gmx users > Hi, all, > > Is there a way to energy minimize only part of the > structure? I have

[gmx-users] Is there a way to energy minimize only part of macromolecular structure?

Hi, all, 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. Art Dr. Arthur Roberts, Ph.D. University of California, San Diego Skaggs School of Pharmacy and Pharmaceuti