Dear All,<br><br>I still have troubles of starting running md for creatine. For which I created topology using PRODRG programm.<br>The only difference between creatine.top and creating.itp is that creatine top has additional lines:<br>
#include "ffgmx.itp"<br>#include "creatine.itp"<br><br>Also please can you tell me where can I get "ffgmx.itp" file?<br><br>By trying to run md I am getting an error: Fatal error:<br>moleculetype UNK is redefined<br>
<br><br><br><br>Yours sincerely,<br>Olga<br>