SMD simulation

From: Bibekananda Rabha (rabhabibekananda_at_gmail.com)
Date: Wed Jan 26 2022 - 03:41:04 CST

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Dear sir
My protein went out the box when i tried for doing SMD simulation

#my SMD extra parameter in configuration file
SMD on
SMDFile ../ocu3.pdb
SMDk 7
SMDVel 0.0025
SMDDir 0.337 -0.625 -0.706
SMDOutputFreq 20

where is my mistake i'm not getting

Thanking you
Bibekananda Rabha

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