Dear All,
Thanks for the reply , I tried the minimzation again with serial run
and sends me the same error .
Now I checked my number of atoms and they are same .Though my initial
mol2 file used was alright but when I used top2mol2 to
convert the topology and coordinate files back to sybyl mol2 file ,
the initial file is not proper . The same polymer chain for 200mer
works good but this
fails .Is this something related to my initial s tructure , why xleap
creates some bonds by itself and how can I prevent this.
On Mon, Jul 18, 2011 at 7:50 AM, case <case.biomaps.rutgers.edu> wrote:
> On Mon, Jul 18, 2011, jani vinod wrote:
>
>> issue is with our .inpcr file
>> the coordinates have got merged
>>
>> 5.76869501001.4057050 -3.7700960 6.11179501000.4336050 -3.3678960
>> 6.28819501002.2123050 -3.2505960 4.68249501001.5071050 -3.6185960
>> 8.37599501002.1275050 -4.7962960 7.95059501000.0834050 -4.7291960
>> 9.45079501007.9152050 -5.1452960 9.68089501007.0689050 -4.4926960
>
> I don't think this is likely to be the problem. The code that reads the input
> file doesn't look for (or require) spaces between the coordinates.
>
> ....dac
>
>
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Received on Mon Jul 18 2011 - 10:30:03 PDT
