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, Olga
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