Thank you very much for your reply. Could you explain me why this wouldn't effect my MD simulation and in which situation this would be important to solve?
Max
On 2012-11-09, at 8:44 PM, David A Case <case.biomaps.rutgers.edu> wrote:
> On Fri, Nov 09, 2012, Maximilian Ebert wrote:
>>
>> maybe I should ask my question differently. Can I ignore this section
>> and still get a reasonable MD simulation?
>>
>> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
>> +---Tried to superimpose torsions for: *-NB-FE-*
>> +--- With Sp2 - Sp0
>> +--- Sp0 probably means a new atom type is involved
>> +--- which needs to be added via addAtomTypes
>
> Yes, you can ignore these....dac
>
>
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Received on Fri Nov 09 2012 - 22:30:03 PST
