<span class="zD5BAe" tabindex="0"></span>Dear users,<br><br>I'd like to restraint the protein during the minimization.<br>I've got the following message.<br><br>ERROR: can not do Conjugate Gradients with constraints
<br clear="all"><br><br>em.mdp file<br>+++++++++++++++++++++<br>cpp = cpp<br>include =<br>define = -DPOSRES<br>define = -DFLEXIBLE<br><br>; RUN CONTROL PARAMETERS
<br>integrator = cg<br>; Start time and timestep in ps<br>tinit = 0<br>dt = 0.001<br>nsteps = 250<br>+++++++++++++++++++++<br><br>How can I do this?
<br><br><br>-- <br>Best wishes,<br><br>MYUNGGI YI<br>==================================<br>KLB 419<br>Institute of Molecular Biophysics<br>Florida State University<br>Tallahassee, FL 32306<br><br>Office: (850) 645-1334<br>
<a href="http://www.scs.fsu.edu/~myunggi">http://www.scs.fsu.edu/~myunggi</a>