[MMTK] A question about MMTK
Fri, 14 Feb 2003 14:38:59 +0800
I have written hybridizetest.py to heat a DNA chain and cool it. the program generated 6 files. They are heattest.nc, heattest.pdb, heattest.dcd, cooltest.nc, cooltest.pdb and cooltest.dcd. I use vmd to view heattest.pdb and heattest.dcd. The two chains are seperated. In cooltest.pdb and cooltest.dcd, the two seperated
chains match again.It is a good result.
But to my default, I have delete the origin file of hybridizetest.py. I can't remember the parameters such as the delta_t and steps in integrators. And the result of hybridizetest.py is not so ideal.
I want to know if I can recover the parameters from heattest.nc,
heattest.pdb, heattest.dcd, cooltest.nc, cooltest.pdb and cooltest.dcd. Or the ideal result is just a one from many random results.
Thank you for reading my letter.