Re: [gmx-users] Dihedral restraints in 4.6 vs 4.5.X

Thanks - I have filed issue #1194 and assigned it to David. http://redmine.gromacs.org/issues/1194 Let me know if there is anything else that is needed. I could take a shot at myself, and will play around with it, but I don't know the details of the symtab in any detail, unfortunately. 15

[gmx-users] Dihedral restraints in 4.6 vs 4.5.X

Hi I anyone aware of any issue starting simulations with 4.6 (or 4.6.1) from a 4.5.X-tpr file with dihedral restraints? I'm unsuccessful in making them start. To investigate further, I created a small dialanine peptide in vacuum, with a dihedral restraint. Here's the details: Making a 4.5.5

Re: [gmx-users] Dihedral restraints in 4.6 vs 4.5.X

On 2013-03-15 15:31, Per Larsson wrote: Hi I anyone aware of any issue starting simulations with 4.6 (or 4.6.1) from a 4.5.X-tpr file with dihedral restraints? I'm unsuccessful in making them start. To investigate further, I created a small dialanine peptide in vacuum, with a dihedral