AMBER Archive (2001)

Subject: questions for group specification...

From: backy_at_ibms.sinica.edu.tw
Date: Wed Aug 01 2001 - 04:11:59 CDT

 Hi all:

   I want the H and interesting residue are moving.

   So i want to use the flag ibelly=1,

   The following protocol is :

   Minimization with cartesian restraints
   &cntrl
   imin=1, ntx=1, maxcyc=10, ibelly=1, ntrx=1
   ntpr=1, SCEE=1.2, idiel=0, cut=999.0,
   &end
   belly H
   FIND
   * * E *
   SEARCH
   RES 1 999
   END
   Title one
   RES 79
   END
   END

   But it cann't work..what's happen?

   and " * * E *" what does it mean?

   backy