[gmx-users] add a new force field to the pdb2gmx list

[Mark Abraham]

On 1/12/2010 3:55 PM, Jia Haitao wrote:
> No, I did not miss any files in direction .ff. I even add a 
> ffpolycg.itp in ../$GMXLIB. Is there any file like FF.dat ?

See pdb2gmx -h

Mark
>
> 2010/12/1 Mark Abraham <Mark.Abraham at anu.edu.au 
> <mailto:Mark.Abraham at anu.edu.au>>
>
>     On 1/12/2010 3:17 PM, Jia Haitao wrote:
>
>         Dear all,
>            I have constructed a new CG force field named "polycg",
>          and added them to direction ..$GMXLIB/polycg.ff. Can anybody
>         tell me how to add my new force field to gromacs default force
>         field list, in case I can use it to convert pdb files in
>         program pdb2gmx.
>            My gromacs version is 4.5. There is not FF.dat file in
>         direction $GMXLIB any more.
>           I will be very appreciate for your help.
>
>
>     Look at the contents for the other force fields. There's probably
>     something you don't have, like forcefield.doc
>
>     Mark
>     -- 
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