[gmx-users] add a new force field to the pdb2gmx list
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Dec 1 05:27:23 CET 2010
On 1/12/2010 3:20 PM, Yang Ye wrote:
> Please use "find" to locate FF.dat in your particular installation.
That mechanism is deprecated in GROMACS 4.5, like the OP said :-)
Mark
> Regards,
> Yang Ye
>
>
> On Wed, Dec 1, 2010 at 12:17 PM, Jia Haitao <jiahaitoo at gmail.com
> <mailto:jiahaitoo at gmail.com>> 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.
>
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