Reptation MC

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Marc Segovia

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Sep 29, 2015, 6:32:20 PM9/29/15
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Good Afternoon

Trying to do a RMC, an error appears,  "expected direction" , which is this ?
Thanking in advance your help.
Best Regards
 Marc from Uruguay

Lucas Wagner

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Sep 29, 2015, 6:49:03 PM9/29/15
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Dear Marc,

Could you post your input files?

Thanks,

Lucas

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Marc Segovia

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Sep 29, 2015, 6:59:39 PM9/29/15
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Yes, sure, sorry.
 Thank you 
Marc
nak2.rmc
nak.dmc
nak.vmc
nak.opt
nak.hf

Marc Segovia

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Sep 29, 2015, 8:09:47 PM9/29/15
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Hi Lucas

Here are more files, just in case you need them.
Best Regards
Marc



On Tue, Sep 29, 2015 at 7:49 PM, Lucas Wagner <lucas....@gmail.com> wrote:
nak.opt.wfout
nak.slater

Lucas Wagner

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Sep 29, 2015, 9:22:38 PM9/29/15
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Hi Marc,

RMC can't use the configurations from DMC; it's not really meaningful to do so.

In general, if you don't use readconfig/storeconfig, QWalk should do the right thing. I recommend people don't mess with those unless they are doing something that requires it.

Cheers,

Lucas

Marc Segovia

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Sep 29, 2015, 9:41:31 PM9/29/15
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Hi Lucas

 Thank you, I misunderstand the tutorial.
 Best Regards
 Marc
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