Re: [gmx-users] Dihedrals Parametrization in the .rtpf File

2012-02-28 Thread Justin A. Lemkul
Lara Bunte wrote: Hi I have three questions: 1.) If you create a .rtp file in your force field folder (I use charmm27) you have a block [ dihedrals ] with the structure [ dihedrals ] atom1atom2atom3atom4phi0cp mult What is cp and what is mult? Force constant

[gmx-users] Dihedrals Parametrization in the .rtpf File

2012-02-28 Thread Lara Bunte
Hi I have three questions: 1.) If you create a .rtp file in your force field folder (I use charmm27) you have a block [ dihedrals ] with the structure [ dihedrals ] atom1    atom2    atom3    atom4    phi0    cp      mult What is cp and what is mult? 2.) In the [ impropers ] block y