Dear Sir or Madam, <br><br>I wonder how to continue a REMD running using .cpt file in Gromacs 4.5.1. Since I ran a REMD of 56 replicas, there are one cpt file for each replica.. I couldn't do it by<br><pre>tpbconv -s previous.tpr -extend timetoextendby -o next.tpr<br>
mdrun -s next.tpr <span style="background-color: rgb(255, 204, 204);">-cpi previous.cpt</span><br></pre><br>I guess it's not for an iterative line in the answer in <a href="http://www.mail-archive.com/gmx-users@gromacs.org/msg33566.html">http://www.mail-archive.com/gmx-users@gromacs.org/msg33566.html</a>, since the mdrun should run simultaneously.<br>
<br>Could you give some advice? Thanks.<br><br>Best,<br><br>Qin <br>