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

Mark Abraham Mark.Abraham at anu.edu.au
Wed Dec 1 05:22:41 CET 2010


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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