[MMTK] protein simulation

mprabha@fiu.edu mprabha at fiu.edu
Mon Jan 16 17:10:19 CET 2006


I have tried to run protein simulation
Th example bALA1 works fine
when I changed ALA to GLY it fails after 1000 steps of heating. The reason the trajectory universe is not compatable with protein universe. If any body runs protein simulation, can you give any suggestions in running protein simulation insulin with Hydrogens also failed. I tried a segment of Insulin. That also failed in my linux redhat 8.0 machine
thank you
Prabhakaran




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