[gmx-users] is there extra parameters in .mdp file for running successful angle_restraints?

[angle_restraint] to atom 20/22;47/58, is this reasonable? Thank you very much! Best wishes! Jianing On 2013-05-18 16:43, Mark Abraham wrote: On Sat, May 18, 2013 at 10:20 AM, jnsong wrote: Dear all, Recently, I want to add angle_restraints and dihedral_restraints for atoms in two

[gmx-users] how to add angle_restraints and dihedral_restraints for atoms belonging to two different molecules

Dear all, Recently, I want to add angle_restraints and dihedral_restraints for atoms in two separate molecules, that is, inter-molecular restraints, not intra-molecular restraints. I add the following into my .top file: [ angle_restraints ] ; i jkltype theta0 fc multip

[gmx-users] Could g_order be used to calculate the order parameters for the two bonds C1'-H1', C3'-H3' in DNA?

tell me the correct way to get order parameters for C1'-H1', C3'-H3'? Thank you very much! jnsong P.S. I just had a try using g_order, the process is as follows: - > a C1' Found 24 atoms with