From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Mon Dec 26 2016 - 08:12:23 CST
What are the colvars values at time zero if you do it either way? It should be reported in the (very short) colvars.traj file. It sounds like what are reasonable boundaries and centers for the distance are not reasonable for distanceZ, and so the simulation gets a gigantic force and leads to atoms moving too fast.
Director’s Postdoctoral Fellow
National Renewable Energy Laboratory
On Dec 26, 2016, at 5:57 AM, Peter Mawanga <peter.mawanga.lagos_at_gmail.com<mailto:peter.mawanga.lagos_at_gmail.com>> wrote:
I want to apply colvar distanceZ for my NAMD ABF simulation instead of distance. But each time the simulation keeps crashing (atoms moving too fast) for distanceZ but works perfectly fine with distance colvar. Please check the input file below:
axis (1, 0, 0)
Please suggest some solution.
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