From: patrick wintrode (pat_wde2_at_yahoo.com)
Date: Sun Feb 10 2008 - 10:41:01 CST
I've noticed that when I calculate RMSFs for my trajectory using gromacs, it treats all of the histidines as non-protein elements, presumably because they are labeled HSE rather than HIS.
Do I need to alias my entire trajectory back to HIS? If so, can someone suggest the easiest way to do this?
Patrick L. Wintrode
Department of Physiology & Biophysics
Case Western Reserve University
Cleveland, OH 44106
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:20:53 CST