From: Laura Joana (laurajoanalopes_at_gmail.com)
Date: Mon May 23 2016 - 05:55:51 CDT
Dear users,
I'm running a huge (in time) simulation with NAMD were I expect to see a
specific number of transitions in my system. To do that I read the initial
point from a dcd file and I make a while loop of run commands, because
after the run I analyze the trajectory colvar file with a script and return
a signal to end the simulation or not. The problem is that when I pass 2
micronseconds I get the error:
"firstTimestep must be a multiple of stepsPerCycle"
I don't understand why! I tried to use the firsttimestep command setting it
to zero and it makes no difference. Why am I getting this error after so
much time of simulation? Does anyone here ever got this error?
Bests,
Laura
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