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
