Re: [AMBER] Inpcrd file problem

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 11 Aug 2011 14:12:56 -0400

It appears your restart does not contain box information. Can you
please post your entire leap input?

-Dan

On Thu, Aug 11, 2011 at 1:48 PM, David Cantu <cantudav.amber.gmail.com> wrote:
> I used TIP3PBOX
>
> I do not see any BOX INFO. Here is the end of the inpcrd file:
>
> [dcantu.lightningsmp julie_prob]$ tail acds.inpcrd
>  14.8590000  11.6010000  11.1070000  13.1510000  12.8680000   7.9920000
>  12.6910000  13.6200000   7.6180000  12.5220000  12.1490000   7.9330000
>   3.5810000  11.1770000   7.1670000   4.0970000  10.5660000   6.6420000
>   4.2310000  11.6800000   7.6580000   6.3200000  12.0680000   7.9940000
>   6.6080000  11.8130000   7.1170000   6.8330000  11.5160000   8.5840000
>   6.3880000  12.9900000  15.3600000   7.3140000  12.7540000  15.4040000
>   6.3730000  13.8170000  14.8790000  14.6220000  12.5320000   2.3580000
>  14.7970000  11.8460000   1.7140000  13.9240000  13.0570000   1.9660000
>  12.9550000  12.2170000  15.1850000  13.7480000  11.7210000  14.9770000
>  13.2490000  12.8960000  15.7920000
>
>
> Thanks,
>
> David
>
>
> On Thu, Aug 11, 2011 at 12:30 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> > I made the inpcrd on Xleap, after solvating a protein.
>>
>> What solvate cmd did you use? Do you see box info if you 'tail inpcrd'?
>>
>> Bill
>>
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Received on Thu Aug 11 2011 - 11:30:03 PDT
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