[MMTK] PDB simulation
mprabha at fiu.edu
Wed Jan 18 15:31:45 CET 2006
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
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