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

Jia Haitao jiahaitoo at gmail.com
Wed Dec 1 05:17:37 CET 2010


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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