MD sample run


  • Guest -
4:52:39 AM PST - Thu, Jan 26th 2012
Hello,

is there any instructive example online as in how to set up and run classical MD using NWChem? E.g. I have no idea how to use SOURCE directive in PREPARE module, i.e. How to give the name of a PDB file?

Thanks in advance,
Zab

  • Guest -
4:54:56 AM PST - Thu, Jan 26th 2012
My Goodness I found it in the Manual! My bad, Cheers! Zab


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