How many fields have ****? If it's only on the 2nd line, it can probably
be fixed manually.
Also you could try writing a netcdf rst.
Bill
On 2/20/17 9:55 PM, Chinh Su Tran To wrote:
> Dear Bill,
>
> Thanks. Yes, it indeed is.
> I looked at the min1.rst in text editor, the 2nd line of the resulting
> min1.rst output contains ****, the rest looks normal. I couldn't view the
> structure as it couldn't be converted because some format errors occurred.
>
> I was searching for the cause behind since it is confusing to me that the
> bash script used for this run was applied previously and it worked.
>
> One note aside, in the beginning of the min1.out, there are some numerical
> errors (represented by **** in VDWAALS results, I guess that was caused by
> unreasonable distances in the initial structure, but it is resolved in the
> end of the first minimization min1). Hence, I think this is not the cause.
>
> Please help. Thanks.
>
> CS
>
>
>
> On Tue, Feb 21, 2017 at 11:50 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> It's the output of the run that created the .rst that needs looking at.
>>
>> Bill
>>
>>
>> On 2/20/17 7:33 PM, Hai Nguyen wrote:
>>> I didn't see any wrong in my input files.
>>
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Received on Mon Feb 20 2017 - 22:30:02 PST
