[MMTK] PDB simulation

[mprabha@fiu.edu]

Dear friends

I failed to run pDB simulation

I modified ALA to GLY in the example. It failed after hating and equilibration due to incompatibility with ttrajectory object.

Both insulin and cytochromec in t he examples section failed in the beginning.

If you have successful  simulation please pass on the information
I am running on linix redhat 8.0
My plan is to run on 1CF3

I have to re  run eventhough I completed 1.5 ns using  GROMOCS for using nMoldyn

thank you

Prabhakaran