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 you have [ impropers ] atom1 atom2 atom3 atom4 q0 cq What is q0 and cq? 3.) Out of a supporting information of a paper I have the information "improper dihedral angles" I have the four atoms and force constants and equilibrium angles. What is the syntax for thin in my .rtp file? Do I use [ dihedrals ] or [ impropers ] block or how do I write my Information in gromacs in my rtp. file? Thanks for help Greetings Lara -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
