From: oguz gurbulak (gurbulakoguz_at_yahoo.com)
Date: Thu Apr 23 2015 - 09:22:38 CDT
Dear NAMD Users,
I run a NPT simulation for 10 ns using 1 fs time step in total 10000000 steps. And I want to perform a new simulation in NVT ensemble starting from 5000000. step with its coordinates and cell sizes in previous NPT run. How should I arrange my conf file for this issue ?
Secondly, Do I have to use the velocities in 5000000. step or assign new velocities ? Could you please share your experience with me ?
Thanks a lot.
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