[gmx-users] #include "ffG45a3.itp"

[Chih-Ying Lin]

Hi
The same question is here. Would you please explain this again for me?
Thank you
Lin


2. the complete data for ffG45a3 are as follows
 If I simply write "#include "ffG45a3.itp" in my .top file and do NOT
 include others. Will Gromacs include all of the OTHERS automatically?
Or, I  have to include all of them in my .top file.



 ffG45a3.itp
 ffG45a3.ddb
 ffG45a3.hdb
 ffG45a3.rtp
 ffG45a3bon.itp
 ffG45a3nb.itp
 ffG45a3-c.tdb
 ffG45a3-n.tdb
 ffG45a3.atp




Chih-Ying Lin wrote:
> HI
> 1. when i make a .top file myself, i wrote the command #include "ffG45a3.itp".
> with this command, does it mean that Gromacs will assign the force
> field parameters automatically for those I do NOT write into the .top
> file ?
>
>
yes, if they are present in the FF.

> 2. the complete data for ffG45a3 are as follows
> If I simply write "#include "ffG45a3.itp" in my .top file and do NOT
> include others automatically. Or, I have to include all of them in my
> .top file.
>
No.


> Thank you
>
> Lin
>
> ffG45a3.itp
> ffG45a3.ddb
> ffG45a3.hdb
> ffG45a3.rtp
> ffG45a3bon.itp
> ffG45a3nb.itp
> ffG45a3-c.tdb
> ffG45a3-n.tdb
> ffG45a3.atp
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