[gmx-users] Tyrosine problems again

ld be ~0) and settles down after about 70 steps (http://ucalgary.ca/~dichan/multiplot.jpg). Any suggestions are very appreciated!!! Thanks! David P.S. Another symptom is that at times when I run the same tpr file I get different outcomes. I use the same cpu, simply cp 1.tpr 2.tpr and run 2.tpr an

[gmx-users] Testing (was: Tyrosine problems again)

w what to make of these. Gromacs runs after, but I am still getting odd tyrosine behaviour. The dihedral once again resembles a chair at the beginning and then settles down during extended equilibration. Based on previous experience I am not used to this sort of behaviour - can anyone confirm th