Justin,
Thanks. The problem was that I didn't use "-nopbc" option.
Vitaly
On Sun, Jan 17, 2010 at 7:11 PM, Justin A. Lemkul wrote:
>
>
> Vitaly V. Chaban wrote:
>>
>> And more. What is the algorithm to detect that the proper atom group?
>> Is it based both on the atom names in PDB and interato
Vitaly V. Chaban wrote:
And more. What is the algorithm to detect that the proper atom group?
Is it based both on the atom names in PDB and interatomic distances?
So if we have for example
Oopls_236-0.5 15.9994 1C 0.123
and in the submitted structure r(C-O)=0.126 - what it be re
And more. What is the algorithm to detect that the proper atom group?
Is it based both on the atom names in PDB and interatomic distances?
So if we have for example
Oopls_236-0.5 15.9994 1C 0.123
and in the submitted structure r(C-O)=0.126 - what it be recognized?
Thanks in advance
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