AMBER Archive (2003)

Subject: ibelly and ntr

From: Youyi Peng (pengyo_at_UMDNJ.EDU)
Date: Tue Apr 15 2003 - 16:59:59 CDT

Hello,
  I can't really understand the differnece between ibelly=1 and ntr=1,
both for frozen /restrained atoms, except moving atoms input in GROUP
for belly and fixed atoms input in GROUP for ntr. If I want to fix the
protein backbone during MD, which one should I use?
In addition, what do tree names of atoms (M,S,B,3,E) stand for? I
couldn't find the answers from the manual and online tutorial?
 Thanks.
  Youyi Peng