On Tue, Sep 15, 2009, xuemeiwang1103 wrote:
> I'm very appreciate for you to ansewer my question .I have checked that the inpcrd files which is exactly the one created at the same time as the prmtop file .I solvate my system as follows :
> > solvateoct 1ooe TIP3PBOX 12
> and the final line of the input coordinate file is :
> 47.7317046 49.6938544 -7.5078304 48.5948508 49.3375349 -7.2974979
> 47.1582457 49.3552439 -6.8202899
> 96.6829838 96.6829838 96.6829838 109.4712190 109.4712190 109.4712190
> I am very puzzled with this problem now,thank you very much !
You should probably post your sander input file -- my wild guess is that
the value of ntx is not correct.
...dac
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Received on Tue Sep 15 2009 - 15:30:02 PDT
