[gmx-users] Re: help with improper angle in gmx (Justin Lemkul)

On 1/8/13 12:06 PM, Tom wrote: Table 5.5 does list the option of use harmonic type potential for improper dihedral. (f. tp =5) It's function type 2. But I am confused how to build this on the ffbond.itp file and manu is not clear about this. You would define the interaction in ffbonded.i

[gmx-users] Re: help with improper angle in gmx (Justin Lemkul)

Table 5.5 does list the option of use harmonic type potential for improper dihedral. (f. tp =5) But I am confused how to build this on the ffbond.itp file and manu is not clear about this. Do you think that in the case of OPLS AA, the periodic improper dihedral is the ONLY option? Thanks a lot fo