>> Thanks for pointing that out. This means in practice that OB can not
>> distinguish between all those atomtypes that are used in random
>> packages, right?
...
> we are busy developing a new force field, and would like to use the OB
> types as the basis, to be translated to new force field atom
On 2013-04-30 10:43, David van der Spoel wrote:
> On 2013-04-26 21:22, Geoffrey Hutchison wrote:
>>> I assume it works like this that OB determines the atom type to be HO (H
>>> bound to O).
>>
>> No, no. This file is like a big translation dictionary. It says "if an atom
>> type comes in from a P
On 2013-04-26 21:22, Geoffrey Hutchison wrote:
>> I assume it works like this that OB determines the atom type to be HO (H
>> bound to O).
>
> No, no. This file is like a big translation dictionary. It says "if an atom
> type comes in from a PCModel file with atom type X," that's equivalent to ..
