[gmx-users] add a new force field to the pdb2gmx list
Jia Haitao
jiahaitoo at gmail.com
Wed Dec 1 05:55:01 CET 2010
No, I did not miss any files in direction .ff. I even add a ffpolycg.itp
in ../$GMXLIB. Is there any file like FF.dat ?
2010/12/1 Mark Abraham <Mark.Abraham at anu.edu.au>
> On 1/12/2010 3:17 PM, Jia Haitao wrote:
>
>> Dear all,
>> I have constructed a new CG force field named "polycg", and added them
>> to direction ..$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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