[gmx-users] still can not run md for creatine

Olga Ivchenko olga.ivchenko at gmail.com
Mon Nov 15 10:45:08 CET 2010

Dear All,

I still have troubles of starting running md for creatine. For which I
created topology using PRODRG programm.
The only difference between creatine.top and creating.itp is that creatine
top has additional lines:
 #include "ffgmx.itp"
#include "creatine.itp"

Also please can you tell me where can I get "ffgmx.itp" file?

By trying to run md I am getting an error: Fatal error:
moleculetype UNK is redefined

Yours sincerely,
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