Re: Numsteps or Runs?

From: Ashkan Shekaari (shekaari_at_email.kntu.ac.ir)
Date: Wed Aug 04 2021 - 13:00:44 CDT

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run 100000000

---
,Best
Ashkan Shekaari
PhD Candidate in Solid State Physics
Department of Physics
K. N. Toosi University of Technology, Tehran, 15875-4416, Iran [ mailto:shekaari_at_email.kntu.ac.ir ] [ https://urldefense.com/v3/__https://scholar.google.com/citations?hl=en&user=LDzbXB4AAAAJ&view_op=list_works&sortby=pubdate__;!!DZ3fjg!q_qwDvWNLp2IJi1xUO8Ggj5n23euWXdOhC0PDgpdHmGTQ3CKLiSDPVOnCdeKUFyqng$ ]

From: "Ruturaj warake" <ruturajwarake47_at_gmail.com>
To: "namd-l" <namd-l_at_ks.uiuc.edu>
Sent: Wednesday, August 4, 2021 8:21:48 PM
Subject: namd-l: Numsteps or Runs?

Dear users,
Running simulation, the system need to be equilibrated. For that equilibration step is run. Suppose, I wish to equilibrate the system for 100 ps. Then where should I put this number? in front of numsteps ? Or Runs ?

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