[gmx-users] pairs in ffgmx.rtp

[Anton Feenstra]

jozef hritz wrote:
> 
> I'd like to include my force field parameters to ffgmx.rtp (not to .itp
> file). How (where) to include information about [ pairs ] ?

I assume you have tried adding a [ pairs ] field to the building
block of your choice? If that didn't work it is (apparently) not
implemented. In that case, the only option would be to put it in
(one of) the .itp file(s), or in a separate one which you could
include somewhere. This would make more sense (at least to me...)
since that keeps the separation of forcefield parameters (.itp)
and building block topology (.rtp).

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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