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

[Jia Haitao]

yes, I lost a forcefield.itp file.

2010/12/1 Mark Abraham <Mark.Abraham at anu.edu.au>

>  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 ../$GMXLIB. Is there any file like FF.dat ?
>
>
> See pdb2gmx -h
>
> Mark
>
>
> 2010/12/1 Mark Abraham <Mark.Abraham at anu.edu.au>
>
>>  On 1/12/2010 3:17 PM, Jia Haitao wrote:
>>
>>> Dear all,
>>>    I have constructed a new CG force field named "polycg",  and added
>>> them to direction ..$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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>
>
>
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