[gmx-users] extrnal itp files

bhf70 bhf70 at uni.udm.ru
Mon Feb 16 11:07:08 CET 2009


It is possible to set an example ?


bhf70 wrote:
> Could you tell me, please.
>  
> What's directions need the programm pdb2gmx to use external .itp files, 
> for example martini_v2.1.itp  (Coarse Grained Force Field)?
>  
> How is it to do ?

There should be instructions accompanying that force field wherever you 
got it from.

There's some general information here 
http://wiki.gromacs.org/index.php/Include_File_Mechanism

Mark
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