Hello. I successfully followed Tutorial B0 (MD simulation of a simple
dipeptide), and obtained Temp, Energy, RMSD plots. Very pleased.
But, running the same simulation again, the cpptraj script wouldn't produce
an 02_03.rms flie. Consequently, no plots possible.
I tried simulations with two other molecules (1kf1.pdb and 1fsc.pdb). Both
ran successfully, producing all the expected files, but again, no 02_03.rms
file showing after the cpptraj script command.
I'm reasonably computer-literate, but not 100% IT background: I'm a
molecular biologist, not a mathematician!
Thanks in advance for any help Simon
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Received on Sat Nov 03 2018 - 02:30:03 PDT
