On Tue, Aug 19, 2014, 전선희 wrote:
>
> I have problems when I was working on antechamber in amber10,
Ouch...this is way old. Please consider upgrading to AmberTools14.
>
> antechamber -i dA-BPQ-A.out -fi gout -o dA-BPQ-A.prep -fo prepi -c resp
>
> Error message is like this
>
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for atom[41],extend the size and reallocate the memory automatically
Are you sure your coordinates are correct? Does a much smaller molecule work
OK with the above sort of input?
> "resp.f", line 359: 1525-090 The NAMELIST READ statement cannot be
> completed because an incorrect character was encountered in a NAMELIST
> group name or item name.
Look at the resp input file (not sure what it is called), and see if you can
see what is wrong in the namelist block.
> Unit 10 Error on OPEN: ANTECHAMBER.ESP
> Unit 3 Error on OPEN: qout
Do you have write permissions in your directory? Again, running a small
example should help. Look at the files in $AMBERHOME/test/antechamber/tp
(e.g. Run.tp_resp) and compare to your files. I'm assuming the
antechamber test cases pass, since you didn't say anything about those,
but you should certainly check that if you have not done so.
....dac
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Received on Tue Aug 19 2014 - 05:00:03 PDT
